Molecule

ID:44237

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₆O₂
Molecular Mass
276.32914
Exact Mass
276.11502975
Charge
0
InChI
InChI=1S/C19H16O2/c1-14(20)15-9-11-18(12-10-15)21-13-17-7-4-6-16-5-2-3-8-19(16)17/h2-12H,13H2,1H3
InChIKey
XHGPJYNGYBQSNX-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc(cc1)OCc1cccc2c1cccc2
Isomeric Smiles
c12c(COc3ccc(C(=O)C)cc3)cccc1cccc2
Calculated Properties
JChem
Acid pKa
16.270987
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.087172
LogD (pH = 7.4)
4.087172
Log P
4.087172
Molar Refractivity
83.9868
Polarizability
33.767952
Polar Surface Area
26.3
Rotatable Bonds
4
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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