(1E)-N-(3-chloroanilino)-2-(furan-2-yl)-2-oxoethanimidoyl cyanide
Formula:C13H8N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1E)-N-(3-chloroanilino)-2-(furan-2-yl)-2-oxoethanimidoyl cyanide is a drug-like molecule.
| MolName | (1E)-N-(3-chloroanilino)-2-(furan-2-yl)-2-oxoethanimidoyl cyanide |
| MolecularFormula | C13H8N3O2Cl |
| Smiles | N#C/C(/C(c1ccco1)=O)=N\Nc1cccc(Cl)c1 |
| InChI | InChI=1S/C13H8ClN3O2/c14-9-3-1-4-10(7-9)16-17-11(8-15)13(18)12-5-2-6-19-12/h1-7,16H |
| InChIK | JVXJSSDCYGXNLP-UHFFFAOYSA-N |
| TotalMolweight | 273.679 |
| Molweight | 273.679 |
| MonoisotopicMass | 273.030504 |
| CLogP | 3.2205 |
| CLogS | -3.997 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 212.02 |
| Relative PSA | 0.30035 |
| PolarSurfaceArea | 78.39 |
| Druglikeness | -1.6006 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| StereoCon |
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