Molecule

ID:8918

General Information
Structure
MolImage
Molecular Formula
C₉H₇N₃O₂
Molecular Mass
189.17078
Exact Mass
189.05382648
Charge
0
InChI
InChI=1S/C9H7N3O2/c13-12(14)9-3-1-8(2-4-9)11-6-5-10-7-11/h1-7H
InChIKey
PUCOOPJLAXJKOO-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(cc1)n1cncc1
Isomeric Smiles
n1(ccnc1)c1ccc(cc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.2010641
LogD (pH = 7.4)
1.6438483
Log P
1.6763945
Molar Refractivity
60.3269
Polarizability
19.280989
Polar Surface Area
60.96
Rotatable Bonds
2
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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