2-[(2-chlorophenyl)methylsulfanyl]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
Formula:C16H13N2OCl3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2-chlorophenyl)methylsulfanyl]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[(2-chlorophenyl)methylsulfanyl]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C16H13N2OCl3S |
| Smiles | O=C(CSCc(cccc1)c1Cl)N/N=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C16H13Cl3N2OS/c17-13-4-2-1-3-12(13)9-23-10-16(22)21-20-8-11-5-6-14(18)15(19)7-11/h1-8H,9-10H2,(H,21,22) |
| InChIK | JTDGCWKENOZITJ-UHFFFAOYSA-N |
| TotalMolweight | 387.717 |
| Molweight | 387.717 |
| MonoisotopicMass | 385.981414 |
| CLogP | 5.2092 |
| CLogS | -6.715 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 278.26 |
| Relative PSA | 0.19227 |
| PolarSurfaceArea | 66.76 |
| Druglikeness | 4.6946 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| StereoCon |
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1 - 2-[(2-chlorophenyl)methylsulfanyl]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide | 2 - 2-[(2-chlorophenyl)methylsulfanyl]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
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