Molecule

ID:112333

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂O
Molecular Mass
208.25518
Exact Mass
208.088815
Charge
0
InChI
InChI=1S/C15H12O/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-12H
InChIKey
JYVONCAJVKBEGI-UHFFFAOYSA-N
Canonic Smiles
O=C/C(=C/c1ccccc1)/c1ccccc1
Isomeric Smiles
O=C/C(=C/c1ccccc1)/c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6455579
LogD (pH = 7.4)
3.6455579
Log P
3.6455579
Molar Refractivity
66.5866
Polarizability
25.49347
Polar Surface Area
17.07
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
No Data Available
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Molecule Details
References
Bioactivity
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