Molecule

ID:129616

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₈O₂
Molecular Mass
276.41372
Exact Mass
276.20893014
Charge
0
InChI
InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)
InChIKey
JIWBIWFOSCKQMA-UHFFFAOYSA-N
Canonic Smiles
CC/C=C/C/C=C/C/C=C/C/C=C/CCCCC(=O)O
Isomeric Smiles
O=C(O)CCCC/C=C/C/C=C/C/C=C/C/C=C/CC
Calculated Properties
JChem
Acid pKa
4.922493
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.0190783
LogD (pH = 7.4)
3.256
Log P
5.6980333
Molar Refractivity
90.752
Polarizability
33.45659
Polar Surface Area
37.3
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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