Molecule

ID:112169

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₂O₂
Molecular Mass
280.44548
Exact Mass
280.24023026
Charge
0
InChI
InChI=1S/C18H32O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h11,14,17H,1-10,12-13,15-16H2,(H,19,20)
InChIKey
XMVQWNRDPAAMJB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCCCCCCCCCCC1C=CCC1
Isomeric Smiles
OC(=O)CCCCCCCCCCCCC1CCC=C1
Calculated Properties
JChem
LogD (pH = 7.4)
3.75
LogD (pH = 5.5)
5.51
Log P
6.16
Rotatable Bonds
13
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
false
Acid pKa
4.95
Polar Surface Area
37.30
Polarizability
36.48
Molar Refractivity
85.55
LOG S
-6.61
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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