Molecule

ID:134719

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₂
Molecular Mass
175.18396
Exact Mass
175.06332853
Charge
0
InChI
InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)
InChIKey
SEOVTRFCIGRIMH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1c[nH]c2c1cccc2
Isomeric Smiles
c1ccc2c(c1)c(c[nH]2)CC(=O)O
Calculated Properties
JChem
Acid pKa
4.6618505
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.81362313
LogD (pH = 7.4)
-0.96409625
Log P
1.7097561
Molar Refractivity
48.4521
Polarizability
19.745686
Polar Surface Area
53.09
Rotatable Bonds
2
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