6-chloro-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pyridazin-3-amine
Formula:C12H8N4ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-chloro-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pyridazin-3-amine is a drug-like molecule.
| MolName | 6-chloro-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pyridazin-3-amine |
| MolecularFormula | C12H8N4ClF3 |
| Smiles | FC(c1ccc(/C=N\Nc(cc2)nnc2Cl)cc1)(F)F |
| InChI | InChI=1S/C12H8ClF3N4/c13-10-5-6-11(20-18-10)19-17-7-8-1-3-9(4-2-8)12(14,15)16/h1-7H,(H,19,20) |
| InChIK | OWFFBLWQXNFNQX-UHFFFAOYSA-N |
| TotalMolweight | 300.671 |
| Molweight | 300.671 |
| MonoisotopicMass | 300.038957 |
| CLogP | 4.9142 |
| CLogS | -3.705 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 211.64 |
| Relative PSA | 0.2122 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | -4.8055 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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