2,4-dichloro-N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]benzamide
Formula:C12H7N2OCl3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,4-dichloro-N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 2,4-dichloro-N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]benzamide |
| MolecularFormula | C12H7N2OCl3S |
| Smiles | O=C(c(ccc(Cl)c1)c1Cl)N/N=C\c(s1)ccc1Cl |
| InChI | InChI=1S/C12H7Cl3N2OS/c13-7-1-3-9(10(14)5-7)12(18)17-16-6-8-2-4-11(15)19-8/h1-6H,(H,17,18) |
| InChIK | MFDOADXTEFXQCP-UHFFFAOYSA-N |
| TotalMolweight | 333.626 |
| Molweight | 333.626 |
| MonoisotopicMass | 331.934464 |
| CLogP | 5.0909 |
| CLogS | -5.956 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 229.19 |
| Relative PSA | 0.24595 |
| PolarSurfaceArea | 69.7 |
| Druglikeness | 5.6378 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| StereoCon |
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