Molecule

ID:91671

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₂
Molecular Mass
226.27046
Exact Mass
226.09937969
Charge
0
InChI
InChI=1S/C15H14O2/c1-11(16)13-4-3-5-14(10-13)12-6-8-15(17-2)9-7-12/h3-10H,1-2H3
InChIKey
KDQCXCHDEAQCRJ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1cccc(c1)C(=O)C
Isomeric Smiles
O=C(c1cccc(c1)c1ccc(cc1)OC)C
Calculated Properties
JChem
Acid pKa
16.037502
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0204475
LogD (pH = 7.4)
3.0204475
Log P
3.0204475
Molar Refractivity
68.0602
Polarizability
27.591906
Polar Surface Area
26.3
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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