Molecule

ID:129707

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₂O₂
Molecular Mass
280.44548
Exact Mass
280.24023026
Charge
0
InChI
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-11,14-17H2,1H3,(H,19,20)
InChIKey
GVZXZHWIIXHZOB-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCC#CCCCCC(=O)O
Isomeric Smiles
CCCCCCCCCCCC#CCCCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
3.97
LogD (pH = 5.5)
5.74
Log P
6.73
Rotatable Bonds
15
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
false
Acid pKa
4.56
Polar Surface Area
37.30
Polarizability
37.05
Molar Refractivity
85.65
LOG S
-7.09
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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