5-bromo-N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]pyridine-3-carboxamide
Formula:C13H8N4O3BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-bromo-N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | 5-bromo-N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C13H8N4O3BrCl |
| Smiles | [O-][N+](c(cc(/C=N\NC(c1cc(Br)cnc1)=O)cc1)c1Cl)=O |
| InChI | InChI=1S/C13H8BrClN4O3/c14-10-4-9(6-16-7-10)13(20)18-17-5-8-1-2-11(15)12(3-8)19(21)22/h1-7H,(H,18,20) |
| InChIK | NSQMDMXMGGQCJC-UHFFFAOYSA-N |
| TotalMolweight | 383.589 |
| Molweight | 383.589 |
| MonoisotopicMass | 381.946829 |
| CLogP | 2.6103 |
| CLogS | -4.956 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 243.47 |
| Relative PSA | 0.3179 |
| PolarSurfaceArea | 100.17 |
| Druglikeness | -2.5212 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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