Molecule
ID:112702
General Information
Molecular Formula
C₁₉H₄₀O
Molecular Mass
284.5203
Exact Mass
284.3079159
Charge
0
InChI
InChI=1S/C19H40O/c1-3-5-7-9-11-13-15-17-19(20)18-16-14-12-10-8-6-4-2/h19-20H,3-18H2,1-2H3
InChIKey
ACMBVSPXQQUNOF-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCC(CCCCCCCCC)O
Isomeric Smiles
CCCCCCCCCC(O)CCCCCCCCC
Calculated Properties
JChem
Acid pKa
18.484173
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
7.523812
LogD (pH = 7.4)
7.523812
Log P
7.523812
Molar Refractivity
90.8907
Polarizability
36.401302
Polar Surface Area
20.23
Rotatable Bonds
16
Lipinski's Rule of Five
false
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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