3-nitro-N-[(Z)-pyridin-2-ylmethylideneamino]aniline
Formula:C12H10N4O2
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
3-nitro-N-[(Z)-pyridin-2-ylmethylideneamino]aniline is a drug-like molecule.
| MolName | 3-nitro-N-[(Z)-pyridin-2-ylmethylideneamino]aniline |
| MolecularFormula | C12H10N4O2 |
| Smiles | [O-][N+](c1cc(N/N=C\c2ncccc2)ccc1)=O |
| InChI | InChI=1S/C12H10N4O2/c17-16(18)12-6-3-5-10(8-12)15-14-9-11-4-1-2-7-13-11/h1-9,15H |
| InChIK | XLRLNBLJYGTOFR-UHFFFAOYSA-N |
| TotalMolweight | 242.237 |
| Molweight | 242.237 |
| MonoisotopicMass | 242.080376 |
| CLogP | 2.9724 |
| CLogS | -2.838 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 191.67 |
| Relative PSA | 0.33579 |
| PolarSurfaceArea | 83.1 |
| Druglikeness | -3.1321 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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