Molecule

ID:85168

General Information
Structure
MolImage
Molecular Formula
C₈H₇N₃O₃
Molecular Mass
193.15948
Exact Mass
193.0487411
Charge
0
InChI
InChI=1S/C8H7N3O3/c12-6-10-9-5-7-3-1-2-4-8(7)11(13)14/h1-6H,(H,10,12)
InChIKey
KHKHDOACOYRTMQ-UHFFFAOYSA-N
Canonic Smiles
O=CN/N=C/c1ccccc1[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1ccccc1/C=N/NC=O)[O-]
Calculated Properties
JChem
Acid pKa
12.020391
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.0002439
LogD (pH = 7.4)
1.0002365
Log P
1.0002458
Molar Refractivity
50.3992
Polarizability
17.890985
Polar Surface Area
87.28
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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