N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-thiophen-2-ylacetamide
Formula:C13H12N2O2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-thiophen-2-ylacetamide is a drug-like molecule.
| MolName | N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-thiophen-2-ylacetamide |
| MolecularFormula | C13H12N2O2S |
| Smiles | O=C(Cc1cccs1)N/N=C/C=C/c1ccco1 |
| InChI | InChI=1S/C13H12N2O2S/c16-13(10-12-6-3-9-18-12)15-14-7-1-4-11-5-2-8-17-11/h1-9H,10H2,(H,15,16) |
| InChIK | HTQHGHNAJKTWPN-UHFFFAOYSA-N |
| TotalMolweight | 260.316 |
| Molweight | 260.316 |
| MonoisotopicMass | 260.061948 |
| CLogP | 2.2733 |
| CLogS | -3.67 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 212.88 |
| Relative PSA | 0.33108 |
| PolarSurfaceArea | 82.84 |
| Druglikeness | 5.7684 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-thiophen-2-ylacetamide | 2 - N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-thiophen-2-ylacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off