Molecule

ID:108082

General Information
Structure
MolImage
Molecular Formula
C₂₄H₃₈O₄
Molecular Mass
390.55612
Exact Mass
390.2770097
Charge
0
InChI
InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3
InChIKey
BJQHLKABXJIVAM-UHFFFAOYSA-N
Canonic Smiles
CCCCC(COC(=O)c1ccccc1C(=O)OCC(CCCC)CC)CC
Isomeric Smiles
CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC
Calculated Properties
JChem
LogD (pH = 7.4)
8.03
LogD (pH = 5.5)
8.03
Log P
8.03
Rotatable Bonds
16
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
false
Acid pKa
-6.66
Polar Surface Area
52.60
Polarizability
47.04
Molar Refractivity
114.40
LOG S
-8.34
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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