(E)-2-(1H-benzimidazol-2-yl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile
Formula:C14H10N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(1H-benzimidazol-2-yl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(1H-benzimidazol-2-yl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile |
| MolecularFormula | C14H10N4 |
| Smiles | N#C/C(/c1nc(cccc2)c2[nH]1)=C\c1ccc[nH]1 |
| InChI | InChI=1S/C14H10N4/c15-9-10(8-11-4-3-7-16-11)14-17-12-5-1-2-6-13(12)18-14/h1-8,16H,(H,17,18) |
| InChIK | UAJLCZROGMHVEQ-UHFFFAOYSA-N |
| TotalMolweight | 234.261 |
| Molweight | 234.261 |
| MonoisotopicMass | 234.090546 |
| CLogP | 1.5982 |
| CLogS | -2.172 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 191.94 |
| Relative PSA | 0.27358 |
| PolarSurfaceArea | 68.26 |
| Druglikeness | -3.4276 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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