N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2,4-dichlorobenzamide
Formula:C14H8N3O3BrCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2,4-dichlorobenzamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2,4-dichlorobenzamide |
| MolecularFormula | C14H8N3O3BrCl2 |
| Smiles | [O-][N+](c(cc(/C=N\NC(c(ccc(Cl)c1)c1Cl)=O)cc1)c1Br)=O |
| InChI | InChI=1S/C14H8BrCl2N3O3/c15-11-4-1-8(5-13(11)20(22)23)7-18-19-14(21)10-3-2-9(16)6-12(10)17/h1-7H,(H,19,21) |
| InChIK | GVBMSLAPTMUMGB-UHFFFAOYSA-N |
| TotalMolweight | 417.046 |
| Molweight | 417.046 |
| MonoisotopicMass | 414.912607 |
| CLogP | 4.2172 |
| CLogS | -6.487 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 260.13 |
| Relative PSA | 0.25537 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -2.5212 |
| 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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1 - N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2,4-dichlorobenzamide | 2 - N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2,4-dichlorobenzamide
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