Molecule

ID:108274

General Information
Structure
MolImage
Molecular Formula
C₂₄H₄₀O₃
Molecular Mass
376.5726
Exact Mass
376.29774514
Charge
0
InChI
InChI=1S/C24H40O3/c1-2-3-4-5-8-14-19-23(25)22(21-16-11-10-12-17-21)18-13-7-6-9-15-20-24(26)27/h10-12,16-17,22-23,25H,2-9,13-15,18-20H2,1H3,(H,26,27)
InChIKey
QFCZQSXGMHCMFH-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCC(C(c1ccccc1)CCCCCCCC(=O)O)O
Isomeric Smiles
CCCCCCCCC(O)C(CCCCCCCC(=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.7685328
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
6.453071
LogD (pH = 7.4)
4.6770186
Log P
7.257778
Molar Refractivity
112.5217
Polarizability
44.539417
Polar Surface Area
57.53
Rotatable Bonds
17
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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