Molecule

ID:92024

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO₂
Molecular Mass
173.16808
Exact Mass
173.04767847
Charge
0
InChI
InChI=1S/C10H7NO2/c12-9-6-5-7-3-1-2-4-8(7)10(9)11-13/h1-6,12H
InChIKey
YXAOOTNFFAQIPZ-UHFFFAOYSA-N
Canonic Smiles
O=Nc1c(O)ccc2c1cccc2
Isomeric Smiles
Oc1c(c2ccccc2cc1)N=O
Calculated Properties
JChem
Acid pKa
7.4343467
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.731887
LogD (pH = 7.4)
2.456231
Log P
2.7368653
Molar Refractivity
50.0625
Polarizability
19.451601
Polar Surface Area
49.66
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