Molecule

ID:9932

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂O₂
Molecular Mass
224.25458
Exact Mass
224.08372962
Charge
0
InChI
InChI=1S/C15H12O2/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-11,16H/b11-6+
InChIKey
UAHGNXFYLAJDIN-IZZDOVSWSA-N
Canonic Smiles
Oc1ccc(cc1)C(=O)/C=C/c1ccccc1
Isomeric Smiles
C(=C\c1ccccc1)/C(=O)c1ccc(cc1)O
Calculated Properties
JChem
LogD (pH = 7.4)
3.46
LogD (pH = 5.5)
3.58
Log P
3.59
Rotatable Bonds
3
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
7.87
Polar Surface Area
37.30
Polarizability
24.76
Molar Refractivity
68.86
LOG S
-3.92
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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