2-cyano-N-[(Z)-2-phenylethylideneamino]acetamide
Formula:C11H11N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-cyano-N-[(Z)-2-phenylethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-cyano-N-[(Z)-2-phenylethylideneamino]acetamide |
| MolecularFormula | C11H11N3O |
| Smiles | N#CCC(N/N=C\Cc1ccccc1)=O |
| InChI | InChI=1S/C11H11N3O/c12-8-6-11(15)14-13-9-7-10-4-2-1-3-5-10/h1-5,9H,6-7H2,(H,14,15) |
| InChIK | XQIQHVZXNPYRRV-UHFFFAOYSA-N |
| TotalMolweight | 201.228 |
| Molweight | 201.228 |
| MonoisotopicMass | 201.090212 |
| CLogP | 1.145 |
| CLogS | -2.856 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 176.46 |
| Relative PSA | 0.28091 |
| PolarSurfaceArea | 65.25 |
| Druglikeness | -2.8695 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.8 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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