Molecule

ID:87211

General Information
Structure
MolImage
Molecular Formula
C₉H₈O
Molecular Mass
132.15922
Exact Mass
132.05751488
Charge
0
InChI
InChI=1S/C9H8O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4H,5-6H2
InChIKey
UMJJFEIKYGFCAT-UHFFFAOYSA-N
Canonic Smiles
O=C1Cc2c(C1)cccc2
Isomeric Smiles
O=C1Cc2ccccc2C1
Calculated Properties
JChem
LogD (pH = 7.4)
1.80
LogD (pH = 5.5)
1.80
Log P
1.80
Rotatable Bonds
0
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
15.02
Polar Surface Area
17.07
Polarizability
14.28
Molar Refractivity
39.58
LOG S
-1.19
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