N-[(Z)-benzylideneamino]-3,5,6-trichloropyridin-2-amine
Formula:C12H8N3Cl3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-benzylideneamino]-3,5,6-trichloropyridin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-3,5,6-trichloropyridin-2-amine |
| MolecularFormula | C12H8N3Cl3 |
| Smiles | Clc(cc1Cl)c(N/N=C\c2ccccc2)nc1Cl |
| InChI | InChI=1S/C12H8Cl3N3/c13-9-6-10(14)12(17-11(9)15)18-16-7-8-4-2-1-3-5-8/h1-7H,(H,17,18) |
| InChIK | ODOCBJVLYCAGEN-UHFFFAOYSA-N |
| TotalMolweight | 300.576 |
| Molweight | 300.576 |
| MonoisotopicMass | 298.978378 |
| CLogP | 6.1068 |
| CLogS | -4.85 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 214.26 |
| Relative PSA | 0.15841 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 2.3845 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-benzylideneamino]-3,5,6-trichloropyridin-2-amine | 2 - N-[(Z)-benzylideneamino]-3,5,6-trichloropyridin-2-amine
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