(E)-2-(1H-benzimidazol-2-yl)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)prop-2-enenitrile
Formula:C20H17N4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(1H-benzimidazol-2-yl)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(1H-benzimidazol-2-yl)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)prop-2-enenitrile |
| MolecularFormula | C20H17N4F |
| Smiles | N#C/C(/c1nc(cccc2)c2[nH]1)=C\c(cc1)cc(F)c1N1CCCC1 |
| InChI | InChI=1S/C20H17FN4/c21-16-12-14(7-8-19(16)25-9-3-4-10-25)11-15(13-22)20-23-17-5-1-2-6-18(17)24-20/h1-2,5-8,11-12H,3-4,9-10H2,(H,23,24) |
| InChIK | LEJZQWVQCMKETC-UHFFFAOYSA-N |
| TotalMolweight | 332.381 |
| Molweight | 332.381 |
| MonoisotopicMass | 332.143724 |
| CLogP | 3.4135 |
| CLogS | -4.16 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 260.56 |
| Relative PSA | 0.16146 |
| PolarSurfaceArea | 55.71 |
| Druglikeness | -2.8618 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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