2-cyano-N-[(Z)-furan-2-ylmethylideneamino]acetamide
Formula:C8H7N3O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-cyano-N-[(Z)-furan-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-cyano-N-[(Z)-furan-2-ylmethylideneamino]acetamide |
| MolecularFormula | C8H7N3O2 |
| Smiles | N#CCC(N/N=C\c1ccco1)=O |
| InChI | InChI=1S/C8H7N3O2/c9-4-3-8(12)11-10-6-7-2-1-5-13-7/h1-2,5-6H,3H2,(H,11,12) |
| InChIK | IAYGPZAOVWRTCC-UHFFFAOYSA-N |
| TotalMolweight | 177.163 |
| Molweight | 177.163 |
| MonoisotopicMass | 177.053827 |
| CLogP | 0.6465 |
| CLogS | -2.651 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 152.39 |
| Relative PSA | 0.41788 |
| PolarSurfaceArea | 78.39 |
| Druglikeness | -3.0397 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.76923 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-cyano-N-[(Z)-furan-2-ylmethylideneamino]acetamide | 2 - 2-cyano-N-[(Z)-furan-2-ylmethylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off