Molecule

ID:101847

General Information
Structure
MolImage
Molecular Formula
C₈H₈O₂
Molecular Mass
136.14792
Exact Mass
136.0524295
Charge
0
InChI
InChI=1S/C8H8O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,9H,6H2
InChIKey
ZWVHTXAYIKBMEE-UHFFFAOYSA-N
Canonic Smiles
OCC(=O)c1ccccc1
Isomeric Smiles
C(=O)(c1ccccc1)CO
Calculated Properties
JChem
LogD (pH = 7.4)
0.71
LogD (pH = 5.5)
0.71
Log P
0.71
Rotatable Bonds
2
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
13.79
Polar Surface Area
37.30
Polarizability
14.05
Molar Refractivity
38.16
LOG S
-1.57
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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