Molecule

ID:107490

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂O₂
Molecular Mass
236.26528
Exact Mass
236.08372962
Charge
0
InChI
InChI=1S/C16H12O2/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h1-12H
InChIKey
WYCXGQSQHAXLPK-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)/C=C/C(=O)c1ccccc1
Isomeric Smiles
O=C(c1ccccc1)/C=C/C(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
13.083284
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4675639
LogD (pH = 7.4)
3.4675632
Log P
3.4675639
Molar Refractivity
72.2412
Polarizability
27.171812
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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