Molecule

ID:85368

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉Cl₂N₂O₄PS
Molecular Mass
437.277821
Exact Mass
436.01802009
Charge
0
InChI
InChI=1S/C16H19Cl2N2O4PS/c1-4-22-25(26,23-5-2)24-15-9-14(10-21-3)19-16(20-15)11-6-12(17)8-13(18)7-11/h6-9H,4-5,10H2,1-3H3
InChIKey
IPRORQZPBLZINF-UHFFFAOYSA-N
Canonic Smiles
COCc1cc(nc(n1)c1cc(Cl)cc(c1)Cl)OP(=S)(OCC)OCC
Isomeric Smiles
n1c(nc(cc1OP(=S)(OCC)OCC)COC)c1cc(cc(c1)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.748525
LogD (pH = 7.4)
5.748575
Log P
5.7485757
Molar Refractivity
118.4079
Polarizability
43.104748
Polar Surface Area
62.7
Rotatable Bonds
9
Lipinski's Rule of Five
false
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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