Molecule

ID:128945

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅ClNO₄PS₂
Molecular Mass
367.808561
Exact Mass
366.98686428
Charge
0
InChI
InChI=1S/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3
InChIKey
IOUNQDKNJZEDEP-UHFFFAOYSA-N
Canonic Smiles
CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC
Isomeric Smiles
Clc1ccc2c(oc(=O)n2CSP(=S)(OCC)OCC)c1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.745463
LogD (pH = 7.4)
3.745463
Log P
3.745463
Molar Refractivity
89.2424
Polarizability
35.637672
Polar Surface Area
48.0
Rotatable Bonds
7
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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