Molecule
ID:111691
General Information
Molecular Formula
C₁₈H₃₆O
Molecular Mass
268.47784
Exact Mass
268.27661577
Charge
0
InChI
InChI=1S/C18H36O/c1-3-5-7-9-11-13-15-17-18(19)16-14-12-10-8-6-4-2/h3-17H2,1-2H3
InChIKey
RPUZRNKKZZATGV-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCC(=O)CCCCCCCC
Isomeric Smiles
CCCCCCCCCC(=O)CCCCCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
7.286744
LogD (pH = 7.4)
7.286744
Log P
7.286744
Molar Refractivity
85.2616
Polarizability
34.003025
Polar Surface Area
17.07
Rotatable Bonds
15
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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