Molecule

ID:67108

General Information
Structure
MolImage
Molecular Formula
C₈H₈O₂
Molecular Mass
136.14792
Exact Mass
136.0524295
Charge
0
InChI
InChI=1S/C8H8O2/c1-6-4-8(10)3-2-7(6)5-9/h2-5,10H,1H3
InChIKey
JDWWIEFMFPWBST-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1C)O
Isomeric Smiles
C(=O)c1c(cc(cc1)O)C
Calculated Properties
JChem
Acid pKa
7.4392443
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.89067
LogD (pH = 7.4)
1.616306
Log P
1.8956043
Molar Refractivity
39.6641
Polarizability
14.589216
Polar Surface Area
37.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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