3,5,6-trichloro-N-[(Z)-naphthalen-1-ylmethylideneamino]pyridin-2-amine
Formula:C16H10N3Cl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
3,5,6-trichloro-N-[(Z)-naphthalen-1-ylmethylideneamino]pyridin-2-amine is not a drug-like molecule.
| MolName | 3,5,6-trichloro-N-[(Z)-naphthalen-1-ylmethylideneamino]pyridin-2-amine |
| MolecularFormula | C16H10N3Cl3 |
| Smiles | Clc(cc1Cl)c(N/N=C\c2cccc3ccccc23)nc1Cl |
| InChI | InChI=1S/C16H10Cl3N3/c17-13-8-14(18)16(21-15(13)19)22-20-9-11-6-3-5-10-4-1-2-7-12(10)11/h1-9H,(H,21,22) |
| InChIK | VFQSELFBFTZERG-UHFFFAOYSA-N |
| TotalMolweight | 350.635 |
| Molweight | 350.635 |
| MonoisotopicMass | 348.994028 |
| CLogP | 7.3012 |
| CLogS | -6.456 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 248.86 |
| Relative PSA | 0.13638 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 2.3845 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 3,5,6-trichloro-N-[(Z)-naphthalen-1-ylmethylideneamino]pyridin-2-amine | 2 - 3,5,6-trichloro-N-[(Z)-naphthalen-1-ylmethylideneamino]pyridin-2-amine
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