(2E)-2-cyano-2-[1-(cyanomethyl)pyrrolidin-2-ylidene]acetamide
Formula:C9H10N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2E)-2-cyano-2-[1-(cyanomethyl)pyrrolidin-2-ylidene]acetamide is a drug-like molecule.
| MolName | (2E)-2-cyano-2-[1-(cyanomethyl)pyrrolidin-2-ylidene]acetamide |
| MolecularFormula | C9H10N4O |
| Smiles | NC(/C(/C#N)=C1/N(CC#N)CCC1)=O |
| InChI | InChI=1S/C9H10N4O/c10-3-5-13-4-1-2-8(13)7(6-11)9(12)14/h1-2,4-5H2,(H2,12,14) |
| InChIK | UMDLGNSOFXRETP-UHFFFAOYSA-N |
| TotalMolweight | 190.205 |
| Molweight | 190.205 |
| MonoisotopicMass | 190.085461 |
| CLogP | -0.6472 |
| CLogS | -1.514 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 157.95 |
| Relative PSA | 0.37341 |
| PolarSurfaceArea | 93.91 |
| Druglikeness | -0.57476 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | twice activated DB |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 4 |
| Amides | 1 |
| StereoCon |
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