(2Z)-2-(1H-benzimidazol-2-yl)-2-pyrrolidin-2-ylideneacetonitrile
Formula:C13H12N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-(1H-benzimidazol-2-yl)-2-pyrrolidin-2-ylideneacetonitrile is a drug-like molecule.
| MolName | (2Z)-2-(1H-benzimidazol-2-yl)-2-pyrrolidin-2-ylideneacetonitrile |
| MolecularFormula | C13H12N4 |
| Smiles | N#C/C(/c1nc(cccc2)c2[nH]1)=C1/NCCC1 |
| InChI | InChI=1S/C13H12N4/c14-8-9(10-6-3-7-15-10)13-16-11-4-1-2-5-12(11)17-13/h1-2,4-5,15H,3,6-7H2,(H,16,17) |
| InChIK | PSTVQEZCNPDKKM-UHFFFAOYSA-N |
| TotalMolweight | 224.266 |
| Molweight | 224.266 |
| MonoisotopicMass | 224.106196 |
| CLogP | 1.3416 |
| CLogS | -2.205 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 180.06 |
| Relative PSA | 0.27757 |
| PolarSurfaceArea | 64.5 |
| Druglikeness | -4.9565 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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