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Molecule
ID:128863
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
HN₅
Molecular Mass
71.04144
Exact Mass
71.02319506
Charge
0
InChI
InChI=1S/HN5/c1-2-4-5-3-1/h(H,1,2,3,4,5)
InChIKey
WUHLVXDDBHWHLQ-UHFFFAOYSA-N
Canonic Smiles
n1nnn[nH]1
Isomeric Smiles
n1nn[nH]n1
Calculated Properties
JChem
Acid pKa
4.4429846
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.4229783
LogD (pH = 7.4)
-2.029294
Log P
-0.43625286
Molar Refractivity
17.4082
Polarizability
4.813636
Polar Surface Area
67.35
Rotatable Bonds
0
Lipinski's Rule of Five
true
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Pentazole
PubChem
6451467
Names and Identifiers
IUPAC name
1H-pentazole
IUPAC Traditional name
pentazole
IUPAC Systematic name
1
H
-Pentazole
Synonyms
Pentazole
Registration numbers
PubChem CID
6451467
CAS Number
289-19-0
Wikipedia Title
Pentazole
Chemspider ID
4953932
PubChem SID
162223166
Molecule Details
Wikipedia
Pentazole
References
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