3,5-dichloro-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]pyridin-2-amine
Formula:C12H7N3Cl4
Mutagenic:none
Tumorigenic:low
Reproductive Effective:low
3,5-dichloro-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]pyridin-2-amine is not a drug-like molecule.
| MolName | 3,5-dichloro-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]pyridin-2-amine |
| MolecularFormula | C12H7N3Cl4 |
| Smiles | Clc(cc1Cl)cnc1N/N=C\c1cccc(Cl)c1Cl |
| InChI | InChI=1S/C12H7Cl4N3/c13-8-4-10(15)12(17-6-8)19-18-5-7-2-1-3-9(14)11(7)16/h1-6H,(H,17,19) |
| InChIK | CMDLVXPJYBIDCO-UHFFFAOYSA-N |
| TotalMolweight | 335.021 |
| Molweight | 335.021 |
| MonoisotopicMass | 332.939405 |
| CLogP | 6.6154 |
| CLogS | -5.823 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 229.68 |
| Relative PSA | 0.14777 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 2.3845 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 3,5-dichloro-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]pyridin-2-amine | 2 - 3,5-dichloro-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]pyridin-2-amine
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