N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-6-chloropyridazin-3-amine
Formula:C9H6N4BrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-6-chloropyridazin-3-amine is a drug-like molecule.
| MolName | N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-6-chloropyridazin-3-amine |
| MolecularFormula | C9H6N4BrClS |
| Smiles | Clc(cc1)nnc1N/N=C\c1cc(Br)cs1 |
| InChI | InChI=1S/C9H6BrClN4S/c10-6-3-7(16-5-6)4-12-14-9-2-1-8(11)13-15-9/h1-5H,(H,14,15) |
| InChIK | ICCHGXWEAMGRDY-UHFFFAOYSA-N |
| TotalMolweight | 317.598 |
| Molweight | 317.598 |
| MonoisotopicMass | 315.918504 |
| CLogP | 4.6577 |
| CLogS | -3.771 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 196.75 |
| Relative PSA | 0.33174 |
| PolarSurfaceArea | 78.41 |
| Druglikeness | -1.7633 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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