Molecule

ID:78682

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄O
Molecular Mass
234.29246
Exact Mass
234.10446507
Charge
0
InChI
InChI=1S/C17H14O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-14H
InChIKey
WMKGGPCROCCUDY-UHFFFAOYSA-N
Canonic Smiles
O=C(/C=C/c1ccccc1)/C=C/c1ccccc1
Isomeric Smiles
O=C(/C=C/c1ccccc1)/C=C/c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.825144
LogD (pH = 7.4)
4.825144
Log P
4.825144
Molar Refractivity
77.0272
Polarizability
28.964622
Polar Surface Area
17.07
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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