4-chloro-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-nitrobenzamide
Formula:C14H8N3O3Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-nitrobenzamide is a drug-like molecule.
| MolName | 4-chloro-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-nitrobenzamide |
| MolecularFormula | C14H8N3O3Cl3 |
| Smiles | [O-][N+](c(cc(cc1)C(N/N=C\c(ccc(Cl)c2)c2Cl)=O)c1Cl)=O |
| InChI | InChI=1S/C14H8Cl3N3O3/c15-10-3-1-9(12(17)6-10)7-18-19-14(21)8-2-4-11(16)13(5-8)20(22)23/h1-7H,(H,19,21) |
| InChIK | GEVXFTJAQUHLAV-UHFFFAOYSA-N |
| TotalMolweight | 372.595 |
| Molweight | 372.595 |
| MonoisotopicMass | 370.963123 |
| CLogP | 4.098 |
| CLogS | -6.389 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 256.92 |
| Relative PSA | 0.25856 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -0.73119 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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