Molecule
ID:81575
General Information
Molecular Formula
C₁₁H₁₅Cl₂N₂O₂PS₂
Molecular Mass
373.258761
Exact Mass
371.96896172
Charge
0
InChI
InChI=1S/C11H15Cl2N2O2PS2/c1-3-16-18(20,17-4-2)15-11(19)14-10-6-8(12)5-9(13)7-10/h5-7H,3-4H2,1-2H3,(H2,14,15,19,20)
InChIKey
ZOUCMGSSGGVOBU-UHFFFAOYSA-N
Canonic Smiles
CCOP(=S)(NC(=S)Nc1cc(Cl)cc(c1)Cl)OCC
Isomeric Smiles
P(=S)(NC(=S)Nc1cc(cc(c1)Cl)Cl)(OCC)OCC
Calculated Properties
JChem
Acid pKa
6.6590567
H Acceptors
0
H Donor
2
LogD (pH = 5.5)
4.7310953
LogD (pH = 7.4)
4.051679
Log P
4.758693
Molar Refractivity
94.9382
Polarizability
37.076645
Polar Surface Area
42.52
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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