Molecule

ID:86442

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈NO₃PS₂
Molecular Mass
271.337181
Exact Mass
271.04657207
Charge
0
InChI
InChI=1S/C8H18NO3PS2/c1-5-11-13(14,12-6-2)15-8(10)9-7(3)4/h7H,5-6H2,1-4H3,(H,9,10)
InChIKey
KEGLFEUBIJWRHR-UHFFFAOYSA-N
Canonic Smiles
CCOP(=S)(SC(=O)NC(C)C)OCC
Isomeric Smiles
P(=S)(SC(=O)NC(C)C)(OCC)OCC
Calculated Properties
JChem
Acid pKa
15.15658
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.5890052
LogD (pH = 7.4)
2.5890052
Log P
2.5890052
Molar Refractivity
69.4402
Polarizability
27.892815
Polar Surface Area
47.56
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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