(E)-2-(2-chlorophenyl)-3-[1-(2-fluorophenyl)pyrrol-2-yl]prop-2-enenitrile
Formula:C19H12N2ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(2-chlorophenyl)-3-[1-(2-fluorophenyl)pyrrol-2-yl]prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(2-chlorophenyl)-3-[1-(2-fluorophenyl)pyrrol-2-yl]prop-2-enenitrile |
| MolecularFormula | C19H12N2ClF |
| Smiles | N#C/C(/c(cccc1)c1Cl)=C/c1cccn1-c(cccc1)c1F |
| InChI | InChI=1S/C19H12ClFN2/c20-17-8-2-1-7-16(17)14(13-22)12-15-6-5-11-23(15)19-10-4-3-9-18(19)21/h1-12H |
| InChIK | QBTKMCMLHGPSOA-UHFFFAOYSA-N |
| TotalMolweight | 322.769 |
| Molweight | 322.769 |
| MonoisotopicMass | 322.067303 |
| CLogP | 4.2783 |
| CLogS | -7.016 |
| H Acceptors | 2 |
| TotalSurfaceArea | 250.17 |
| Relative PSA | 0.081664 |
| PolarSurfaceArea | 28.72 |
| Druglikeness | -4.3265 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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