N-[(Z)-benzylideneamino]-2-thiophen-2-ylacetamide
Formula:C13H12N2OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-thiophen-2-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-thiophen-2-ylacetamide |
| MolecularFormula | C13H12N2OS |
| Smiles | O=C(Cc1cccs1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C13H12N2OS/c16-13(9-12-7-4-8-17-12)15-14-10-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,15,16) |
| InChIK | KHJWSCGGMLAHBS-UHFFFAOYSA-N |
| TotalMolweight | 244.317 |
| Molweight | 244.317 |
| MonoisotopicMass | 244.067033 |
| CLogP | 3.0663 |
| CLogS | -3.696 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 196.69 |
| Relative PSA | 0.28659 |
| PolarSurfaceArea | 69.7 |
| Druglikeness | 6.1501 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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