3,5-dichloro-N-[(Z)-pyridin-2-ylmethylideneamino]pyridin-4-amine
Formula:C11H8N4Cl2
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
3,5-dichloro-N-[(Z)-pyridin-2-ylmethylideneamino]pyridin-4-amine is a drug-like molecule.
| MolName | 3,5-dichloro-N-[(Z)-pyridin-2-ylmethylideneamino]pyridin-4-amine |
| MolecularFormula | C11H8N4Cl2 |
| Smiles | Clc1cncc(Cl)c1N/N=C\c1ncccc1 |
| InChI | InChI=1S/C11H8Cl2N4/c12-9-6-14-7-10(13)11(9)17-16-5-8-3-1-2-4-15-8/h1-7H,(H,14,17) |
| InChIK | HQIVQJKLQDOFFT-UHFFFAOYSA-N |
| TotalMolweight | 267.119 |
| Molweight | 267.119 |
| MonoisotopicMass | 266.0126 |
| CLogP | 4.1051 |
| CLogS | -3.055 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 197.6 |
| Relative PSA | 0.22728 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 2.3845 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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