Molecule

ID:109796

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₈O₄S₂
Molecular Mass
382.62192
Exact Mass
382.2211517
Charge
0
InChI
InChI=1S/C18H38O4S2/c1-7-9-11-13-17(3,4)23(19,20)15-16-24(21,22)18(5,6)14-12-10-8-2/h7-16H2,1-6H3
InChIKey
DYBMWSMLXAEZDW-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(S(=O)(=O)CCS(=O)(=O)C(CCCCC)(C)C)(C)C
Isomeric Smiles
CCCCCC(C)(C)S(=O)(=O)CCS(=O)(=O)C(C)(C)CCCCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.2644215
LogD (pH = 7.4)
4.2644215
Log P
4.2644215
Molar Refractivity
101.871
Polarizability
42.2339
Polar Surface Area
68.28
Rotatable Bonds
13
Lipinski's Rule of Five
true
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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