Molecule

ID:105232

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₂O₃
Molecular Mass
296.44488
Exact Mass
296.23514488
Charge
0
InChI
InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)
InChIKey
NPDSHTNEKLQQIJ-UHFFFAOYSA-N
Canonic Smiles
CCCCC/C=C/C=C/C(CCCCCCCC(=O)O)O
Isomeric Smiles
CCCCC/C=C/C=C/C(O)CCCCCCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.6767454
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.307881
LogD (pH = 7.4)
2.5300376
Log P
5.191066
Molar Refractivity
90.0343
Polarizability
34.529655
Polar Surface Area
57.53
Rotatable Bonds
14
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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