Molecule

ID:69522

General Information
Structure
MolImage
Molecular Formula
C₈H₈O₂
Molecular Mass
136.14792
Exact Mass
136.0524295
Charge
0
InChI
InChI=1S/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3
InChIKey
JECYUBVRTQDVAT-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccccc1O
Isomeric Smiles
C(=O)(C)c1c(cccc1)O
Calculated Properties
JChem
LogD (pH = 7.4)
1.87
LogD (pH = 5.5)
1.88
Log P
1.88
Rotatable Bonds
1
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
9.15
Polar Surface Area
37.30
Polarizability
13.89
Molar Refractivity
38.44
LOG S
-1.33
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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