2-cyano-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Formula:C8H7N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-cyano-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-cyano-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C8H7N3OS |
| Smiles | N#CCC(N/N=C\c1cccs1)=O |
| InChI | InChI=1S/C8H7N3OS/c9-4-3-8(12)11-10-6-7-2-1-5-13-7/h1-2,5-6H,3H2,(H,11,12) |
| InChIK | NQFTWZCQKMLBAV-UHFFFAOYSA-N |
| TotalMolweight | 193.23 |
| Molweight | 193.23 |
| MonoisotopicMass | 193.030982 |
| CLogP | 1.3244 |
| CLogS | -2.979 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 158.64 |
| Relative PSA | 0.44081 |
| PolarSurfaceArea | 93.49 |
| Druglikeness | -1.2817 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.76923 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 1 |
| StereoCon |
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