Molecule

ID:133961

General Information
Structure
MolImage
Molecular Formula
C₂₄H₄₀O₂
Molecular Mass
360.5732
Exact Mass
360.30283052
Charge
0
InChI
InChI=1S/C24H40O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h16-21H,4-15H2,1-3H3,(H,25,26)
InChIKey
RPKLZQLYODPWTM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC(C1CCC2C1(C)CCC1C2CCC2C1(C)CCCC2)C
Isomeric Smiles
CC(CCC(=O)O)C1CCC2C1(CCC1C2CCC2C1(CCCC2)C)C
Calculated Properties
JChem
Acid pKa
4.791043
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.6229553
LogD (pH = 7.4)
3.8480153
Log P
6.4087887
Molar Refractivity
106.0118
Polarizability
42.53371
Polar Surface Area
37.3
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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