2-cyano-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide
Formula:C14H11N3O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-cyano-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-cyano-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide |
| MolecularFormula | C14H11N3O2S |
| Smiles | N#CCC(N/N=C\c(o1)ccc1Sc1ccccc1)=O |
| InChI | InChI=1S/C14H11N3O2S/c15-9-8-13(18)17-16-10-11-6-7-14(19-11)20-12-4-2-1-3-5-12/h1-7,10H,8H2,(H,17,18) |
| InChIK | BCRSMBDQTTWXCL-UHFFFAOYSA-N |
| TotalMolweight | 285.326 |
| Molweight | 285.326 |
| MonoisotopicMass | 285.057197 |
| CLogP | 2.565 |
| CLogS | -4.2 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 229.64 |
| Relative PSA | 0.35347 |
| PolarSurfaceArea | 103.69 |
| Druglikeness | -0.55248 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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