Molecule

ID:6649

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈O₂
Molecular Mass
172.18002
Exact Mass
172.0524295
Charge
0
InChI
InChI=1S/C11H8O2/c12-7-8-5-6-11(13)10-4-2-1-3-9(8)10/h1-7,13H
InChIKey
LORPDGZOLAPNHP-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c2c1cccc2)O
Isomeric Smiles
c1c(c2c(c(c1)O)cccc2)C=O
Calculated Properties
JChem
Acid pKa
6.962094
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.3570306
LogD (pH = 7.4)
1.806891
Log P
2.3716595
Molar Refractivity
51.0731
Polarizability
20.370173
Polar Surface Area
37.3
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