Molecule

ID:76761

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₆O
Molecular Mass
268.47784
Exact Mass
268.27661577
Charge
0
InChI
InChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3
InChIKey
WHWDWIHXSPCOKZ-UHFFFAOYSA-N
Canonic Smiles
CC(CCCC(C)C)CCCC(CCCC(=O)C)C
Isomeric Smiles
O=C(CCCC(CCCC(CCCC(C)C)C)C)C
Calculated Properties
JChem
Acid pKa
19.643326
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.5581284
LogD (pH = 7.4)
6.5581284
Log P
6.5581284
Molar Refractivity
85.0785
Polarizability
34.003025
Polar Surface Area
17.07
Rotatable Bonds
12
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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