Molecule

ID:109474

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₆O₃
Molecular Mass
300.47664
Exact Mass
300.26644501
Charge
0
InChI
InChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
InChIKey
KIHBGTRZFAVZRV-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCC(C(=O)O)O
Isomeric Smiles
CCCCCCCCCCCCCCCCC(O)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
3.28
LogD (pH = 5.5)
5.01
Log P
6.27
Rotatable Bonds
16
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
false
Acid pKa
4.26
Polar Surface Area
57.53
Polarizability
39.39
Molar Refractivity
87.78
LOG S
-7.34
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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