Molecule

ID:84846

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂O
Molecular Mass
208.25518
Exact Mass
208.088815
Charge
0
InChI
InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H
InChIKey
DQFBYFPFKXHELB-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)C=Cc1ccccc1
Isomeric Smiles
O=C(c1ccccc1)/C=C/c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
3.89
LogD (pH = 5.5)
3.89
Log P
3.89
Rotatable Bonds
3
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-7.30
Polar Surface Area
17.07
Polarizability
23.72
Molar Refractivity
66.88
LOG S
-4.32
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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