Molecule

ID:9440

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O
Molecular Mass
210.27106
Exact Mass
210.10446507
Charge
0
InChI
InChI=1S/C15H14O/c1-12(16)15-9-7-14(8-10-15)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKey
PPYJQGBEZQOXHC-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc(cc1)Cc1ccccc1
Isomeric Smiles
c1c(cccc1)Cc1ccc(cc1)C(=O)C
Calculated Properties
JChem
Acid pKa
16.17173
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6226873
LogD (pH = 7.4)
3.6226873
Log P
3.6226873
Molar Refractivity
66.198
Polarizability
25.473175
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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