Molecule

ID:103580

General Information
Structure
MolImage
Molecular Formula
C₉H₈O₂
Molecular Mass
148.15862
Exact Mass
148.0524295
Charge
0
InChI
InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2
InChIKey
VMUXSMXIQBNMGZ-UHFFFAOYSA-N
Canonic Smiles
O=C1CCc2c(O1)cccc2
Isomeric Smiles
O=C1CCc2c(O1)cccc2
Calculated Properties
JChem
LogD (pH = 7.4)
1.89
LogD (pH = 5.5)
1.89
Log P
1.89
Rotatable Bonds
0
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-7.18
Polar Surface Area
26.30
Polarizability
15.11
Molar Refractivity
40.46
LOG S
-1.91
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