Molecule

ID:133860

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₄O₃
Molecular Mass
298.46076
Exact Mass
298.25079495
Charge
0
InChI
InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9-/t17-/m1/s1
InChIKey
WBHHMMIMDMUBKC-QJWNTBNXSA-N
Canonic Smiles
CCCCCC[C@H](C/C=C\CCCCCCCC(=O)O)O
Isomeric Smiles
CCCCCC[C@H](C/C=C\CCCCCCCC(=O)O)O
Calculated Properties
JChem
LogD (pH = 7.4)
3.02
LogD (pH = 5.5)
4.77
Log P
5.40
Rotatable Bonds
15
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
false
Acid pKa
4.99
Polar Surface Area
57.53
Polarizability
37.83
Molar Refractivity
89.07
LOG S
-5.41
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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