N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-chloro-4-nitrobenzamide
Formula:C14H8N3O3BrClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-chloro-4-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-chloro-4-nitrobenzamide |
| MolecularFormula | C14H8N3O3BrClF |
| Smiles | [O-][N+](c(cc1)cc(Cl)c1C(N/N=C\c(cc(cc1)Br)c1F)=O)=O |
| InChI | InChI=1S/C14H8BrClFN3O3/c15-9-1-4-13(17)8(5-9)7-18-19-14(21)11-3-2-10(20(22)23)6-12(11)16/h1-7H,(H,19,21) |
| InChIK | PUWJGPINQCNNTB-UHFFFAOYSA-N |
| TotalMolweight | 400.591 |
| Molweight | 400.591 |
| MonoisotopicMass | 398.942158 |
| CLogP | 3.712 |
| CLogS | -6.065 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 251.06 |
| Relative PSA | 0.2646 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -3.8612 |
| 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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