5-chloro-2-nitro-N-[(Z)-pyridin-4-ylmethylideneamino]aniline
Formula:C12H9N4O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-chloro-2-nitro-N-[(Z)-pyridin-4-ylmethylideneamino]aniline is a drug-like molecule.
| MolName | 5-chloro-2-nitro-N-[(Z)-pyridin-4-ylmethylideneamino]aniline |
| MolecularFormula | C12H9N4O2Cl |
| Smiles | [O-][N+](c(ccc(Cl)c1)c1N/N=C\c1ccncc1)=O |
| InChI | InChI=1S/C12H9ClN4O2/c13-10-1-2-12(17(18)19)11(7-10)16-15-8-9-3-5-14-6-4-9/h1-8,16H |
| InChIK | UKYZAIWPKFSLRZ-UHFFFAOYSA-N |
| TotalMolweight | 276.682 |
| Molweight | 276.682 |
| MonoisotopicMass | 276.041403 |
| CLogP | 3.5244 |
| CLogS | -3.55 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 207.09 |
| Relative PSA | 0.31078 |
| PolarSurfaceArea | 83.1 |
| Druglikeness | -3.1042 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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