Molecule

ID:69612

General Information
Structure
Molecular Formula
C₈H₈O₂
Molecular Mass
136.14792
Exact Mass
136.0524295
Charge
0
InChI
InChI=1S/C8H8O2/c1-6-4-7(5-9)2-3-8(6)10/h2-5,10H,1H3
InChIKey
BAKYASSDAXQKKY-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)C)O
Isomeric Smiles
C(=O)c1cc(c(cc1)O)C
Calculated Properties
JChem
Acid pKa
7.685507
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8927978
LogD (pH = 7.4)
1.7156701
Log P
1.8956043
Molar Refractivity
39.6641
Polarizability
14.589269
Polar Surface Area
37.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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