Molecule

ID:83207

General Information
Structure
Molecular Formula
C₁₂H₁₄Cl₂NO₂PS₂
Molecular Mass
370.254821
Exact Mass
368.95806268
Charge
0
InChI
InChI=1S/C12H14Cl2NO2PS2/c1-3-15-18(16,17-2)19-7-10-9-6-8(13)4-5-11(9)20-12(10)14/h4-6H,3,7H2,1-2H3,(H,15,16)
InChIKey
MOLGPVLMEDQUSV-UHFFFAOYSA-N
Canonic Smiles
COP(=O)(SCc1c(Cl)sc2c1cc(Cl)cc2)NCC
Isomeric Smiles
s1c(c(c2cc(ccc12)Cl)CSP(=O)(NCC)OC)Cl
Calculated Properties
JChem
Acid pKa
13.280781
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.210953
LogD (pH = 7.4)
4.2109523
Log P
4.210953
Molar Refractivity
88.0183
Polarizability
35.937614
Polar Surface Area
38.33
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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