Molecule

ID:76538

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O
Molecular Mass
210.27106
Exact Mass
210.10446507
Charge
0
InChI
InChI=1S/C15H14O/c1-12(16)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,1H3
InChIKey
DBNWBEGCONIRGQ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)C(c1ccccc1)c1ccccc1
Isomeric Smiles
O=C(C(c1ccccc1)c1ccccc1)C
Calculated Properties
JChem
Acid pKa
17.190193
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.61741
LogD (pH = 7.4)
3.61741
Log P
3.61741
Molar Refractivity
65.5862
Polarizability
25.572115
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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