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Molecule
ID:128638
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
HNO
Molecular Mass
31.01404
Exact Mass
31.00581366
Charge
0
InChI
InChI=1S/HNO/c1-2/h1H
InChIKey
ODUCDPQEXGNKDN-UHFFFAOYSA-N
Canonic Smiles
N=O
Isomeric Smiles
N=O
Calculated Properties
JChem
LogD (pH = 7.4)
-0.26
LogD (pH = 5.5)
-0.26
Log P
-0.26
Rotatable Bonds
0
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
1.49
Polar Surface Area
40.92
Polarizability
1.98
Molar Refractivity
4.01
LOG S
-0.04
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
•
Academic Data
Names and Identifiers
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IUPAC name
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IUPAC Traditional name
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Synonyms
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IUPAC Systematic name
Registration numbers
Properties
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Physical Property
Related Proteins
Molecular Spectra
Molecule Details
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Wikipedia
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ChEBI
References
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PubChem Literature
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Academic Data
Wikipedia
Nitroxyl
PubChem
945
ChEBI
CHEBI:84879
Names and Identifiers
IUPAC name
oxidanimine
IUPAC Traditional name
nitrogen oxide
N-O
Synonyms
Nitronous oxide
Nitrosyl hydride
Nitroxyl
Hydrogen oxonitrate(I)
oxidanimine
nitroxyl
nitronous oxide
nitroxyl
azanone
nitrosyl hydride
IUPAC Systematic name
Oxidanimine
Properties
Physical Property
Heat Capacity
33.88 J K
-1
mol
-1
Source
Std molar entropy
220.91 J K
-1
mol
-1
Source
Partition Coefficient
0.74
Source
Molecule Details
Wikipedia
Nitroxyl
ChEBI
CHEBI:84879
A nitrogen oxoacid consisting of an oxygen atom nouble-bonded to an NH group.
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Registration numbers
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PubChem CID
•
Wikipedia Title
•
Chemspider ID
•
CHEMBL
•
CAS Number
•
MeSH Name
•
PubChem SID
•
BRENDA Database
•
BRENDA Ligand Database
•
PubMed Citation Links
•
BKMS React Database
•
CHEBI ID
•
ACToR Database
•
Rhea Database
•
MetaCyc Database
•
SureChEMBL Database
Registration numbers
PubChem CID
945
Wikipedia Title
Nitroxyl
Chemspider ID
920
CHEMBL
1200689
CHEMBL1234765
CAS Number
14332-28-6
MeSH Name
Nitroxyl
PubChem SID
162222945
242084183
BRENDA Database
4.1.1.2
4.1.1.15
2.7.11.15
1.1.1.284
1.11.1.5
1.14.13.39
1.7.1.14
1.7.2.1
5.1.1.18
1.8.1.4
4.6.1.1
1.14.13.8
1.1.1.42
1.7.3.6
BRENDA Ligand Database
206891
200990
PubMed Citation Links
25720439
25620279
25728899
25460322
25465170
BKMS React Database
200990
206891
CHEBI ID
CHEBI:84879
ACToR Database
10102-43-9
14332-28-6
Rhea Database
RHEA:45040
RHEA:45044
MetaCyc Database
CPD-14557
SureChEMBL Database
SCHEMBL2771
5.3.99.4
1.7.2.8
1.13.11.15
1.12.99.6
1.14.14.47
4.6.1.2
3.4.22.62
2.7.11.17
1.13.11.52
1.13.11.2
1.18.6.1
1.7.2.5
7.1.1.7
4.1.1.29
1.14.14.154
1.1.1.1
1.11.1.6
3.4.22.60
5.3.99.5
6.3.4.5
3.4.13.9
1.1.1.189
1.14.15.29
1.7.1.1
5.6.2.2
2.7.7.64
1.7.6.1
1.7.2.6
1.1.1.21
2.7.11.31
3.5.3.18
1.11.1.9
4.2.1.112
1.11.1.21
1.11.2.2
1.17.1.4
7.1.1.9
4.2.1.84
3.4.24.56
3.1.3.5
1.14.12.17
1.6.2.2
1.2.1.3
3.1.3.48
2.5.1.6
4.2.1.3
4.2.1.105
3.4.22.39
1.7.2.2
6.3.2.2
1.11.1.11
1.7.2.7
3.4.22.1
1.7.5.2
1.17.3.2
2.7.11.12
4.2.1.22
3.4.22.56
3.6.1.13
1.2.3.1
1.14.16.2
2.7.7.96
7.1.1.3
4.2.1.9
1.2.1.12
1.4.3.21
1.7.2.9
1.12.1.2
1.2.3.4