4-bromo-N-[(Z)-pyridin-3-ylmethylideneamino]aniline
Formula:C12H10N3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(Z)-pyridin-3-ylmethylideneamino]aniline is a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-pyridin-3-ylmethylideneamino]aniline |
| MolecularFormula | C12H10N3Br |
| Smiles | Brc(cc1)ccc1N/N=C\c1cnccc1 |
| InChI | InChI=1S/C12H10BrN3/c13-11-3-5-12(6-4-11)16-15-9-10-2-1-7-14-8-10/h1-9,16H |
| InChIK | RTWHBIHGOHDHNF-UHFFFAOYSA-N |
| TotalMolweight | 276.136 |
| Molweight | 276.136 |
| MonoisotopicMass | 275.005808 |
| CLogP | 4.5652 |
| CLogS | -3.188 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 186.63 |
| Relative PSA | 0.18186 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 0.63254 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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