Molecule

ID:69866

General Information
Structure
MolImage
Molecular Formula
C₈H₈O₃
Molecular Mass
152.14732
Exact Mass
152.04734412
Charge
0
InChI
InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
InChIKey
CCVYRRGZDBSHFU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1ccccc1O
Isomeric Smiles
C(=O)(Cc1c(cccc1)O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-1.86
LogD (pH = 5.5)
-0.20
Log P
1.31
Rotatable Bonds
2
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
4.00
Polar Surface Area
57.53
Polarizability
14.65
Molar Refractivity
39.35
LOG S
-0.65
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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