Molecule

ID:90343

General Information
Structure
MolImage
Molecular Formula
C₇H₁₇O₄PS₂
Molecular Mass
260.311241
Exact Mass
260.03058765
Charge
0
InChI
InChI=1S/C7H17O4PS2/c1-4-10-12(8,11-5-2)13-7-14(9)6-3/h4-7H2,1-3H3
InChIKey
RCRHKXGEYNVPDK-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(SCS(=O)CC)OCC
Isomeric Smiles
P(=O)(SCS(=O)CC)(OCC)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.30917668
LogD (pH = 7.4)
0.30917668
Log P
0.30917668
Molar Refractivity
62.5954
Polarizability
25.133137
Polar Surface Area
52.6
Rotatable Bonds
8
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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