Molecule

ID:91511

General Information
Structure
MolImage
Molecular Formula
C₉H₆N₂O₂
Molecular Mass
174.15614
Exact Mass
174.04292744
Charge
0
InChI
InChI=1S/C9H6N2O2/c12-11(13)8-5-1-3-7-4-2-6-10-9(7)8/h1-6H
InChIKey
OQHHSGRZCKGLCY-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cccc2c1nccc2
Isomeric Smiles
n1cccc2cccc(c12)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.070871
LogD (pH = 7.4)
2.0708845
Log P
2.0708847
Molar Refractivity
46.2998
Polarizability
18.805279
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation