Molecule

ID:90274

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O
Molecular Mass
196.24448
Exact Mass
196.088815
Charge
0
InChI
InChI=1S/C14H12O/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,14H
InChIKey
HLLGFGBLKOIZOM-UHFFFAOYSA-N
Canonic Smiles
O=CC(c1ccccc1)c1ccccc1
Isomeric Smiles
O=CC(c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
16.280792
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.129168
LogD (pH = 7.4)
3.129168
Log P
3.129168
Molar Refractivity
61.1097
Polarizability
23.725216
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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