Molecule

ID:58447

General Information
Structure
MolImage
Molecular Formula
C₆H₇N₃O₂
Molecular Mass
153.13868
Exact Mass
153.05382648
Charge
0
InChI
InChI=1S/C6H7N3O2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H,7-8H2
InChIKey
DFWXYHZQNLIBLY-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(cc(c1)N)[N+](=O)[O-]
Isomeric Smiles
c1c(cc(cc1N)[N+](=O)[O-])N
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.2538795
LogD (pH = 7.4)
0.2553592
Log P
0.2553781
Molar Refractivity
42.7835
Polarizability
14.527558
Polar Surface Area
97.86
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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