(E)-2-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)prop-2-enenitrile
Formula:C16H10N3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)prop-2-enenitrile |
| MolecularFormula | C16H10N3F |
| Smiles | N#C/C(/c1nc(cccc2)c2[nH]1)=C\c(cc1)ccc1F |
| InChI | InChI=1S/C16H10FN3/c17-13-7-5-11(6-8-13)9-12(10-18)16-19-14-3-1-2-4-15(14)20-16/h1-9H,(H,19,20) |
| InChIK | AOJIZTRFKUSXNB-UHFFFAOYSA-N |
| TotalMolweight | 263.274 |
| Molweight | 263.274 |
| MonoisotopicMass | 263.085875 |
| CLogP | 2.9225 |
| CLogS | -3.438 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 208.72 |
| Relative PSA | 0.18455 |
| PolarSurfaceArea | 52.47 |
| Druglikeness | -5.1525 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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