Molecule

ID:110407

General Information
Structure
MolImage
Molecular Formula
C₃₀H₅₈O₄S
Molecular Mass
514.84412
Exact Mass
514.40558134
Charge
0
InChI
InChI=1S/C30H58O4S/c1-3-5-7-9-11-13-15-17-19-21-25-33-29(31)23-27-35-28-24-30(32)34-26-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
InChIKey
GHKOFFNLGXMVNJ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC
Isomeric Smiles
CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
10.4987
LogD (pH = 7.4)
10.4987
Log P
10.4987
Molar Refractivity
151.4595
Polarizability
60.580723
Polar Surface Area
52.6
Rotatable Bonds
30
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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