Molecule

ID:112476

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₄O₂
Molecular Mass
286.32396
Exact Mass
286.09937969
Charge
0
InChI
InChI=1S/C20H14O2/c21-19(15-8-3-1-4-9-15)17-12-7-13-18(14-17)20(22)16-10-5-2-6-11-16/h1-14H
InChIKey
MJQHDSIEDGPFAM-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)c1cccc(c1)C(=O)c1ccccc1
Isomeric Smiles
O=C(c1ccccc1)c1cc(ccc1)C(=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.891952
LogD (pH = 7.4)
4.891952
Log P
4.891952
Molar Refractivity
87.209
Polarizability
33.676735
Polar Surface Area
34.14
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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