Molecule

ID:132575

General Information
Structure
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Molecular Formula
C₁₉H₃₄O₂
Molecular Mass
294.47206
Exact Mass
294.25588033
Charge
0
InChI
InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10-
InChIKey
WTTJVINHCBCLGX-NQLNTKRDSA-N
Canonic Smiles
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC
Isomeric Smiles
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC
Calculated Properties
JChem
LogD (pH = 7.4)
6.57
LogD (pH = 5.5)
6.57
Log P
6.57
Rotatable Bonds
15
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
false
Acid pKa
-7.02
Polar Surface Area
26.30
Polarizability
38.02
Molar Refractivity
93.29
LOG S
-7.48
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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