(E)-2-(1H-benzimidazol-2-yl)-3-pyridin-3-ylprop-2-enenitrile
Formula:C15H10N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(1H-benzimidazol-2-yl)-3-pyridin-3-ylprop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(1H-benzimidazol-2-yl)-3-pyridin-3-ylprop-2-enenitrile |
| MolecularFormula | C15H10N4 |
| Smiles | N#C/C(/c1nc(cccc2)c2[nH]1)=C\c1cnccc1 |
| InChI | InChI=1S/C15H10N4/c16-9-12(8-11-4-3-7-17-10-11)15-18-13-5-1-2-6-14(13)19-15/h1-8,10H,(H,18,19) |
| InChIK | FFRPRCXHZNQCIA-UHFFFAOYSA-N |
| TotalMolweight | 246.272 |
| Molweight | 246.272 |
| MonoisotopicMass | 246.090546 |
| CLogP | 1.8208 |
| CLogS | -2.329 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 201.13 |
| Relative PSA | 0.24606 |
| PolarSurfaceArea | 65.36 |
| Druglikeness | -3.8125 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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