Molecule

ID:79298

General Information
Structure
MolImage
Molecular Formula
C₆H₇N₃O₂
Molecular Mass
153.13868
Exact Mass
153.05382648
Charge
0
InChI
InChI=1S/C6H7N3O2/c7-8-5-1-3-6(4-2-5)9(10)11/h1-4,8H,7H2
InChIKey
KMVPXBDOWDXXEN-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1ccc(cc1)NN)[O-]
Calculated Properties
JChem
LogD (pH = 7.4)
1.30
LogD (pH = 5.5)
1.22
Log P
1.30
Rotatable Bonds
2
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
4.82
Polar Surface Area
81.19
Polarizability
14.20
Molar Refractivity
42.09
LOG S
-1.95
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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