Molecule

ID:130286

General Information
Structure
MolImage
Molecular Formula
C₈H₂₀O₅P₂S₂
Molecular Mass
322.318922
Exact Mass
322.022739
Charge
0
InChI
InChI=1S/C8H20O5P2S2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4/h5-8H2,1-4H3
InChIKey
XIUROWKZWPIAIB-UHFFFAOYSA-N
Canonic Smiles
CCOP(=S)(OP(=S)(OCC)OCC)OCC
Isomeric Smiles
CCOP(=S)(OCC)OP(=S)(OCC)OCC
Calculated Properties
JChem
LogD (pH = 7.4)
3.28
LogD (pH = 5.5)
3.28
Log P
3.28
Rotatable Bonds
10
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
46.15
Polarizability
30.34
Molar Refractivity
78.43
LOG S
-3.73
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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