2,4-dichloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide
Formula:C14H8N2OCl3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,4-dichloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 2,4-dichloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide |
| MolecularFormula | C14H8N2OCl3F |
| Smiles | O=C(c(ccc(Cl)c1)c1Cl)N/N=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C14H8Cl3FN2O/c15-8-4-5-9(12(17)6-8)14(21)20-19-7-10-11(16)2-1-3-13(10)18/h1-7H,(H,20,21) |
| InChIK | OMIKYYWXJBLEGN-UHFFFAOYSA-N |
| TotalMolweight | 345.588 |
| Molweight | 345.588 |
| MonoisotopicMass | 343.968622 |
| CLogP | 5.1204 |
| CLogS | -6.243 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 239.6 |
| Relative PSA | 0.15029 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 3.1315 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| StereoCon |
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1 - 2,4-dichloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide | 2 - 2,4-dichloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide
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