Molecule

ID:135416

General Information
Structure
MolImage
Molecular Formula
C₂₄H₄₀O
Molecular Mass
344.5738
Exact Mass
344.3079159
Charge
0
InChI
InChI=1S/C24H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(25)23-20-17-16-18-21-23/h16-18,20-21H,2-15,19,22H2,1H3
InChIKey
DBLXXVQTWJFJFI-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCC(=O)c1ccccc1
Isomeric Smiles
CCCCCCCCCCCCCCCCCC(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
17.150484
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
8.89996
LogD (pH = 7.4)
8.89996
Log P
8.89996
Molar Refractivity
110.1027
Polarizability
43.619717
Polar Surface Area
17.07
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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