Molecule
ID:10684
General Information
Molecular Formula
C₁₉H₂₀O₂
Molecular Mass
280.3609
Exact Mass
280.14632988
Charge
0
InChI
InChI=1S/C19H20O2/c20-18(16-10-4-1-5-11-16)14-8-3-9-15-19(21)17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2
InChIKey
BEOXSPKFNAHKED-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)CCCCCC(=O)c1ccccc1
Isomeric Smiles
c1(C(=O)CCCCCC(=O)c2ccccc2)ccccc1
Calculated Properties
JChem
Acid pKa
16.84402
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.4437013
LogD (pH = 7.4)
4.4437013
Log P
4.4437013
Molar Refractivity
84.9742
Polarizability
32.945297
Polar Surface Area
34.14
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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