(1Z)-2-amino-N-(4-chloroanilino)-2-sulfanylideneethanimidoyl cyanide
Formula:C9H7N4ClS
Mutagenic:low
Tumorigenic:low
Reproductive Effective:low
(1Z)-2-amino-N-(4-chloroanilino)-2-sulfanylideneethanimidoyl cyanide is a drug-like molecule.
| MolName | (1Z)-2-amino-N-(4-chloroanilino)-2-sulfanylideneethanimidoyl cyanide |
| MolecularFormula | C9H7N4ClS |
| Smiles | NC(/C(/C#N)=N\Nc(cc1)ccc1Cl)=S |
| InChI | InChI=1S/C9H7ClN4S/c10-6-1-3-7(4-2-6)13-14-8(5-11)9(12)15/h1-4,13H,(H2,12,15) |
| InChIK | RBXSHTPRUGKWLA-UHFFFAOYSA-N |
| TotalMolweight | 238.702 |
| Molweight | 238.702 |
| MonoisotopicMass | 238.007993 |
| CLogP | 2.2771 |
| CLogS | -3.487 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 186.05 |
| Relative PSA | 0.42892 |
| PolarSurfaceArea | 106.29 |
| Druglikeness | -3.3375 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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