Molecule

ID:67472

General Information
Structure
MolImage
Molecular Formula
C₉H₇NO
Molecular Mass
145.15798
Exact Mass
145.05276385
Charge
0
InChI
InChI=1S/C9H7NO/c11-9-5-1-4-8-7(9)3-2-6-10-8/h1-6,11H
InChIKey
GYESAYHWISMZOK-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc2c1cccn2
Isomeric Smiles
n1cccc2c(cccc12)O
Calculated Properties
JChem
LogD (pH = 7.4)
1.81
LogD (pH = 5.5)
1.69
Log P
1.83
Rotatable Bonds
0
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
8.76
Polar Surface Area
33.12
Polarizability
14.82
Molar Refractivity
41.96
LOG S
-1.58
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation