Molecule

ID:91672

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₂
Molecular Mass
226.27046
Exact Mass
226.09937969
Charge
0
InChI
InChI=1S/C15H14O2/c1-11(16)12-7-9-13(10-8-12)14-5-3-4-6-15(14)17-2/h3-10H,1-2H3
InChIKey
CYZUSSZNOUCUAC-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1c1ccc(cc1)C(=O)C
Isomeric Smiles
O=C(c1ccc(cc1)c1ccccc1OC)C
Calculated Properties
JChem
Acid pKa
16.041065
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
27.598373
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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