Molecule

ID:80071

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂O₃
Molecular Mass
240.25398
Exact Mass
240.07864424
Charge
0
InChI
InChI=1S/C15H12O3/c16-13-9-5-4-8-12(13)15(18)10-14(17)11-6-2-1-3-7-11/h1-9,16H,10H2
InChIKey
OABFIJGAEVKMJP-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)CC(=O)c1ccccc1O
Isomeric Smiles
O=C(c1ccccc1O)CC(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
8.98344
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.5236537
LogD (pH = 7.4)
3.512664
Log P
3.5237956
Molar Refractivity
68.6029
Polarizability
26.154106
Polar Surface Area
54.37
Rotatable Bonds
4
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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