N-[(Z)-(4-bromophenyl)methylideneamino]-4-chloro-3-nitrobenzamide
Formula:C14H9N3O3BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-4-chloro-3-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-4-chloro-3-nitrobenzamide |
| MolecularFormula | C14H9N3O3BrCl |
| Smiles | [O-][N+](c(cc(cc1)C(N/N=C\c(cc2)ccc2Br)=O)c1Cl)=O |
| InChI | InChI=1S/C14H9BrClN3O3/c15-11-4-1-9(2-5-11)8-17-18-14(20)10-3-6-12(16)13(7-10)19(21)22/h1-8H,(H,18,20) |
| InChIK | JYNABSNDGXEITI-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 - N-[(Z)-(4-bromophenyl)methylideneamino]-4-chloro-3-nitrobenzamide | 2 - N-[(Z)-(4-bromophenyl)methylideneamino]-4-chloro-3-nitrobenzamide
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