(Z)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-(2-fluorophenyl)prop-2-enenitrile
Formula:C19H10NOCl2F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-(2-fluorophenyl)prop-2-enenitrile is not a drug-like molecule.
| MolName | (Z)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-(2-fluorophenyl)prop-2-enenitrile |
| MolecularFormula | C19H10NOCl2F |
| Smiles | N#C/C(/c(cccc1)c1F)=C\c1ccc(-c(cc2)cc(Cl)c2Cl)o1 |
| InChI | InChI=1S/C19H10Cl2FNO/c20-16-7-5-12(10-17(16)21)19-8-6-14(24-19)9-13(11-23)15-3-1-2-4-18(15)22/h1-10H |
| InChIK | ANTDBJYEOUTMCJ-UHFFFAOYSA-N |
| TotalMolweight | 358.198 |
| Molweight | 358.198 |
| MonoisotopicMass | 357.012346 |
| CLogP | 5.5843 |
| CLogS | -6.875 |
| H Acceptors | 2 |
| TotalSurfaceArea | 266.08 |
| Relative PSA | 0.10399 |
| PolarSurfaceArea | 36.93 |
| Druglikeness | -4.8329 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| StereoCon |
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