(1Z)-2-amino-N-anilino-2-sulfanylideneethanimidoyl cyanide
Formula:C9H8N4S
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
(1Z)-2-amino-N-anilino-2-sulfanylideneethanimidoyl cyanide is a drug-like molecule.
| MolName | (1Z)-2-amino-N-anilino-2-sulfanylideneethanimidoyl cyanide |
| MolecularFormula | C9H8N4S |
| Smiles | NC(/C(/C#N)=N\Nc1ccccc1)=S |
| InChI | InChI=1S/C9H8N4S/c10-6-8(9(11)14)13-12-7-4-2-1-3-5-7/h1-5,12H,(H2,11,14) |
| InChIK | XUOXEDOPLLUZBF-UHFFFAOYSA-N |
| TotalMolweight | 204.257 |
| Molweight | 204.257 |
| MonoisotopicMass | 204.046966 |
| CLogP | 1.6711 |
| CLogS | -2.751 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 170.63 |
| Relative PSA | 0.46768 |
| PolarSurfaceArea | 106.29 |
| Druglikeness | -3.4051 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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