N-[(Z)-thiophen-2-ylmethylideneamino]-2,3-dihydro-1,4-dioxine-5-carboxamide
Formula:C10H10N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-thiophen-2-ylmethylideneamino]-2,3-dihydro-1,4-dioxine-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-thiophen-2-ylmethylideneamino]-2,3-dihydro-1,4-dioxine-5-carboxamide |
| MolecularFormula | C10H10N2O3S |
| Smiles | O=C(C1=COCCO1)N/N=C\c1cccs1 |
| InChI | InChI=1S/C10H10N2O3S/c13-10(9-7-14-3-4-15-9)12-11-6-8-2-1-5-16-8/h1-2,5-7H,3-4H2,(H,12,13) |
| InChIK | XBXHAEVROYFGCL-UHFFFAOYSA-N |
| TotalMolweight | 238.266 |
| Molweight | 238.266 |
| MonoisotopicMass | 238.041213 |
| CLogP | 0.7807 |
| CLogS | -2.881 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 181.9 |
| Relative PSA | 0.41985 |
| PolarSurfaceArea | 88.16 |
| Druglikeness | -1.1968 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 4 |
| StereoCon |
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1 - N-[(Z)-thiophen-2-ylmethylideneamino]-2,3-dihydro-1,4-dioxine-5-carboxamide | 2 - N-[(Z)-thiophen-2-ylmethylideneamino]-2,3-dihydro-1,4-dioxine-5-carboxamide
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