(2S)-pyrrolidine-2-carbonitrile
Formula:C5H8N2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2S)-pyrrolidine-2-carbonitrile is a drug-like molecule.
| MolName | (2S)-pyrrolidine-2-carbonitrile |
| MolecularFormula | C5H8N2 |
| Smiles | N#C[C@H]1NCCC1 |
| InChI | InChI=1S/C5H8N2/c6-4-5-2-1-3-7-5/h5,7H,1-3H2/t5-/m0/s1 |
| InChIK | ALSCEGDXFJIYES-YFKPBYRVSA-N |
| TotalMolweight | 96.1325 |
| Molweight | 96.1325 |
| MonoisotopicMass | 96.068748 |
| CLogP | -0.0272 |
| CLogS | -1.381 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 86.95 |
| Relative PSA | 0.28775 |
| PolarSurfaceArea | 35.82 |
| Druglikeness | -6.215 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 7 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 5 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
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