Molecule

ID:95688

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClFN₂O₃PS
Molecular Mass
340.7385642
Exact Mass
340.02135588
Charge
0
InChI
InChI=1S/C11H15ClFN2O3PS/c1-3-17-19(20,18-4-2)15-11(16)14-8-5-6-10(13)9(12)7-8/h5-7H,3-4H2,1-2H3,(H2,14,15,16,20)
InChIKey
PRKINTJLVQLWQZ-UHFFFAOYSA-N
Canonic Smiles
CCOP(=S)(NC(=O)Nc1ccc(c(c1)Cl)F)OCC
Isomeric Smiles
P(=S)(NC(=O)Nc1ccc(c(c1)Cl)F)(OCC)OCC
Calculated Properties
JChem
Acid pKa
7.0941052
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
3.3978207
LogD (pH = 7.4)
3.0172443
Log P
3.407481
Molar Refractivity
82.3589
Polarizability
31.63166
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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