Molecule

ID:108898

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₆O₃
Molecular Mass
300.47664
Exact Mass
300.26644501
Charge
0
InChI
InChI=1S/C18H36O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
InChIKey
ULQISTXYYBZJSJ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCC(CCCCCCCCCCC(=O)O)O
Isomeric Smiles
CCCCCCC(O)CCCCCCCCCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
3.34
LogD (pH = 5.5)
5.10
Log P
5.76
Rotatable Bonds
16
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
false
Acid pKa
4.95
Polar Surface Area
57.53
Polarizability
39.40
Molar Refractivity
87.96
LOG S
-5.68
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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