2,4-dichloro-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide
Formula:C12H8N2OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,4-dichloro-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 2,4-dichloro-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide |
| MolecularFormula | C12H8N2OCl2S |
| Smiles | O=C(c(ccc(Cl)c1)c1Cl)N/N=C\c1cscc1 |
| InChI | InChI=1S/C12H8Cl2N2OS/c13-9-1-2-10(11(14)5-9)12(17)16-15-6-8-3-4-18-7-8/h1-7H,(H,16,17) |
| InChIK | UBKXOUIKWWYJTB-UHFFFAOYSA-N |
| TotalMolweight | 299.181 |
| Molweight | 299.181 |
| MonoisotopicMass | 297.973437 |
| CLogP | 4.198 |
| CLogS | -5.093 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 213.77 |
| Relative PSA | 0.26369 |
| PolarSurfaceArea | 69.7 |
| Druglikeness | 4.9428 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| StereoCon |
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1 - 2,4-dichloro-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide | 2 - 2,4-dichloro-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide
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