Molecule

ID:81570

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅Cl₂N₂O₃PS
Molecular Mass
357.193161
Exact Mass
355.99180534
Charge
0
InChI
InChI=1S/C11H15Cl2N2O3PS/c1-3-17-19(16,18-4-2)15-11(20)14-10-6-8(12)5-9(13)7-10/h5-7H,3-4H2,1-2H3,(H2,14,15,16,20)
InChIKey
NSIWGRJCMHWATF-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(NC(=S)Nc1cc(Cl)cc(c1)Cl)OCC
Isomeric Smiles
P(=O)(NC(=S)Nc1cc(cc(c1)Cl)Cl)(OCC)OCC
Calculated Properties
JChem
Acid pKa
6.5582504
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
3.8346999
LogD (pH = 7.4)
3.1206725
Log P
3.8688238
Molar Refractivity
86.9473
Polarizability
33.762974
Polar Surface Area
59.59
Rotatable Bonds
6
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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