Molecule

ID:125352

General Information
Structure
MolImage
Molecular Formula
C₈H₈O₂
Molecular Mass
136.14792
Exact Mass
136.0524295
Charge
0
InChI
InChI=1S/C8H8O2/c1-2-6-3-4-7(9)8(10)5-6/h2-5,9-10H,1H2
InChIKey
FBTSUTGMWBDAAC-UHFFFAOYSA-N
Canonic Smiles
C=Cc1ccc(c(c1)O)O
Isomeric Smiles
Oc1ccc(C=C)cc1O
Calculated Properties
JChem
Acid pKa
9.304354
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.1027496
LogD (pH = 7.4)
2.097473
Log P
2.1028173
Molar Refractivity
39.7061
Polarizability
15.049015
Polar Surface Area
40.46
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