(E)-2-(1H-benzimidazol-2-yl)-3-(2-fluoro-6-piperidin-1-ylphenyl)prop-2-enenitrile
Formula:C21H19N4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(1H-benzimidazol-2-yl)-3-(2-fluoro-6-piperidin-1-ylphenyl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(1H-benzimidazol-2-yl)-3-(2-fluoro-6-piperidin-1-ylphenyl)prop-2-enenitrile |
| MolecularFormula | C21H19N4F |
| Smiles | N#C/C(/c1nc(cccc2)c2[nH]1)=C\c(c(N1CCCCC1)ccc1)c1F |
| InChI | InChI=1S/C21H19FN4/c22-17-7-6-10-20(26-11-4-1-5-12-26)16(17)13-15(14-23)21-24-18-8-2-3-9-19(18)25-21/h2-3,6-10,13H,1,4-5,11-12H2,(H,24,25) |
| InChIK | VGQBJDYLCWIFGP-UHFFFAOYSA-N |
| TotalMolweight | 346.408 |
| Molweight | 346.408 |
| MonoisotopicMass | 346.159374 |
| CLogP | 3.7555 |
| CLogS | -4.43 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 274.32 |
| Relative PSA | 0.15336 |
| PolarSurfaceArea | 55.71 |
| Druglikeness | -4.2991 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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