N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]thiophene-2-carboxamide
Formula:C14H12N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]thiophene-2-carboxamide |
| MolecularFormula | C14H12N2O3S |
| Smiles | O=C(c1cccs1)N/N=C\c(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C14H12N2O3S/c17-14(13-2-1-7-20-13)16-15-9-10-3-4-11-12(8-10)19-6-5-18-11/h1-4,7-9H,5-6H2,(H,16,17) |
| InChIK | TZFKUTWAESGNDL-UHFFFAOYSA-N |
| TotalMolweight | 288.326 |
| Molweight | 288.326 |
| MonoisotopicMass | 288.056863 |
| CLogP | 3.047 |
| CLogS | -3.913 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 216.95 |
| Relative PSA | 0.35202 |
| PolarSurfaceArea | 88.16 |
| Druglikeness | -0.97132 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]thiophene-2-carboxamide | 2 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]thiophene-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off