Molecule

ID:91541

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂O₂
Molecular Mass
224.25458
Exact Mass
224.08372962
Charge
0
InChI
InChI=1S/C15H12O2/c1-11(17)13-5-7-14(8-6-13)15-4-2-3-12(9-15)10-16/h2-10H,1H3
InChIKey
OAUBMSOSSKBWGU-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)c1ccc(cc1)C(=O)C
Isomeric Smiles
O=Cc1cc(ccc1)c1ccc(cc1)C(=O)C
Calculated Properties
JChem
Acid pKa
16.085402
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.890621
LogD (pH = 7.4)
2.890621
Log P
2.890621
Molar Refractivity
68.181
Polarizability
26.961826
Polar Surface Area
34.14
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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