Molecule

ID:80437

General Information
Structure
Molecular Formula
C₁₉H₂₀O₂
Molecular Mass
280.3609
Exact Mass
280.14632988
Charge
0
InChI
InChI=1S/C19H20O2/c1-14(2)16-7-4-15(5-8-16)6-13-19(20)17-9-11-18(21-3)12-10-17/h4-14H,1-3H3
InChIKey
RIBGEHPYSFDRPI-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(=O)/C=C/c1ccc(cc1)C(C)C
Isomeric Smiles
O=C(c1ccc(cc1)OC)/C=C/c1ccc(cc1)C(C)C
Calculated Properties
JChem
Acid pKa
17.193247
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.977663
LogD (pH = 7.4)
4.977663
Log P
4.977663
Molar Refractivity
87.531
Polarizability
33.332508
Polar Surface Area
26.3
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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