Molecule

ID:9937

General Information
Structure
MolImage
Molecular Formula
C₈H₈O₃
Molecular Mass
152.14732
Exact Mass
152.04734412
Charge
0
InChI
InChI=1S/C8H8O3/c1-5(9)6-2-3-7(10)8(11)4-6/h2-4,10-11H,1H3
InChIKey
UCQUAMAQHHEXGD-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc(c(c1)O)O
Isomeric Smiles
c1c(c(cc(c1)C(=O)C)O)O
Calculated Properties
JChem
LogD (pH = 7.4)
0.81
LogD (pH = 5.5)
0.92
Log P
0.92
Rotatable Bonds
1
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
7.90
Polar Surface Area
57.53
Polarizability
14.92
Molar Refractivity
40.42
LOG S
-0.94
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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