Molecule

ID:67480

General Information
Structure
MolImage
Molecular Formula
C₉H₆N₂O₂
Molecular Mass
174.15614
Exact Mass
174.04292744
Charge
0
InChI
InChI=1S/C9H6N2O2/c12-11(13)9-3-1-2-7-6-10-5-4-8(7)9/h1-6H
InChIKey
PYGMPFQCCWBTJQ-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cccc2c1ccnc2
Isomeric Smiles
c1nccc2c(cccc12)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6823162
LogD (pH = 7.4)
1.685
Log P
1.6850344
Molar Refractivity
46.6718
Polarizability
18.797588
Polar Surface Area
56.03
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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