N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide
Formula:C12H10N2O2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide |
| MolecularFormula | C12H10N2O2S |
| Smiles | O=C(c1cccs1)N/N=C\C=C\c1ccco1 |
| InChI | InChI=1S/C12H10N2O2S/c15-12(11-6-3-9-17-11)14-13-7-1-4-10-5-2-8-16-10/h1-9H,(H,14,15) |
| InChIK | YABRUOZHPIBVBK-UHFFFAOYSA-N |
| TotalMolweight | 246.289 |
| Molweight | 246.289 |
| MonoisotopicMass | 246.046298 |
| CLogP | 2.2752 |
| CLogS | -3.705 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 199.12 |
| Relative PSA | 0.35396 |
| PolarSurfaceArea | 82.84 |
| Druglikeness | 5.745 |
| Mutagenic | high |
| 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 | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| StereoCon |
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