Molecule

ID:81571

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClN₂O₃PS
Molecular Mass
322.748101
Exact Mass
322.03077769
Charge
0
InChI
InChI=1S/C11H16ClN2O3PS/c1-3-16-18(19,17-4-2)14-11(15)13-10-7-5-6-9(12)8-10/h5-8H,3-4H2,1-2H3,(H2,13,14,15,19)
InChIKey
WNVMRYGHTFXIHX-UHFFFAOYSA-N
Canonic Smiles
CCOP(=S)(NC(=O)Nc1cccc(c1)Cl)OCC
Isomeric Smiles
P(=S)(NC(=O)Nc1cc(ccc1)Cl)(OCC)OCC
Calculated Properties
JChem
Acid pKa
7.0939717
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
3.2551157
LogD (pH = 7.4)
2.874478
Log P
3.264779
Molar Refractivity
82.1425
Polarizability
31.850302
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
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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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