4-bromo-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]benzamide
Formula:C14H9N3O3BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-bromo-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]benzamide |
| MolecularFormula | C14H9N3O3BrCl |
| Smiles | [O-][N+](c(cc(/C=N/NC(c(cc1)ccc1Br)=O)cc1)c1Cl)=O |
| InChI | InChI=1S/C14H9BrClN3O3/c15-11-4-2-10(3-5-11)14(20)18-17-8-9-1-6-12(16)13(7-9)19(21)22/h1-8H,(H,18,20) |
| InChIK | VKXZTKALNWISOH-UHFFFAOYSA-N |
| TotalMolweight | 382.6 |
| Molweight | 382.6 |
| MonoisotopicMass | 380.95158 |
| CLogP | 3.6112 |
| CLogS | -5.751 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 244.71 |
| Relative PSA | 0.27146 |
| 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 | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-bromo-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]benzamide | 2 - 4-bromo-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]benzamide
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