(E)-3-[1-(4-bromophenyl)pyrrol-2-yl]-2-(4-fluorophenyl)prop-2-enenitrile
Formula:C19H12N2BrF
Mutagenic:none
Tumorigenic:low
Reproductive Effective:low
(E)-3-[1-(4-bromophenyl)pyrrol-2-yl]-2-(4-fluorophenyl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-3-[1-(4-bromophenyl)pyrrol-2-yl]-2-(4-fluorophenyl)prop-2-enenitrile |
| MolecularFormula | C19H12N2BrF |
| Smiles | N#C/C(/c(cc1)ccc1F)=C/c1cccn1-c(cc1)ccc1Br |
| InChI | InChI=1S/C19H12BrFN2/c20-16-5-9-18(10-6-16)23-11-1-2-19(23)12-15(13-22)14-3-7-17(21)8-4-14/h1-12H |
| InChIK | ZFJYUXOACMBJHV-UHFFFAOYSA-N |
| TotalMolweight | 367.22 |
| Molweight | 367.22 |
| MonoisotopicMass | 366.016787 |
| CLogP | 4.3975 |
| CLogS | -7.114 |
| H Acceptors | 2 |
| TotalSurfaceArea | 253.38 |
| Relative PSA | 0.08063 |
| PolarSurfaceArea | 28.72 |
| Druglikeness | -6.1775 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| 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 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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