(Z)-2-(4-chlorophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enenitrile
Formula:C19H10NOCl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
(Z)-2-(4-chlorophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enenitrile is not a drug-like molecule.
| MolName | (Z)-2-(4-chlorophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enenitrile |
| MolecularFormula | C19H10NOCl3 |
| Smiles | N#C/C(/c(cc1)ccc1Cl)=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1 |
| InChI | InChI=1S/C19H10Cl3NO/c20-15-3-1-12(2-4-15)14(11-23)9-18-5-6-19(24-18)13-7-16(21)10-17(22)8-13/h1-10H |
| InChIK | DUDCTYJNEFPYSQ-UHFFFAOYSA-N |
| TotalMolweight | 374.653 |
| Molweight | 374.653 |
| MonoisotopicMass | 372.982795 |
| CLogP | 6.0895 |
| CLogS | -7.297 |
| H Acceptors | 2 |
| TotalSurfaceArea | 275.15 |
| Relative PSA | 0.10056 |
| PolarSurfaceArea | 36.93 |
| Druglikeness | -3.4929 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| 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 |
| Symmetricatoms | 5 |
| StereoCon |
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