Molecule

ID:119088

General Information
Structure
MolImage
Molecular Formula
C₂₃H₄₀O
Molecular Mass
332.5631
Exact Mass
332.3079159
Charge
0
InChI
InChI=1S/C23H40O/c1-17(9-7-10-19(3)24)11-13-20-18(2)12-14-21-22(4,5)15-8-16-23(20,21)6/h9,18,20-21H,7-8,10-16H2,1-6H3/b17-9-
InChIKey
QKSODSWUZYYQJJ-MFOYZWKCSA-N
Canonic Smiles
CC(=O)CC/C=C(\CCC1C(C)CCC2C1(C)CCCC2(C)C)/C
Isomeric Smiles
C12(C(C(CCC2)(C)C)CCC(C1CC/C(=C\CCC(=O)C)/C)C)C
Calculated Properties
JChem
Acid pKa
19.598763
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.6862483
LogD (pH = 7.4)
6.6862483
Log P
6.6862483
Molar Refractivity
104.9201
Polarizability
41.52094
Polar Surface Area
17.07
Rotatable Bonds
6
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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