(Z)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-naphthalen-2-ylprop-2-enenitrile
Formula:C23H13NOCl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-naphthalen-2-ylprop-2-enenitrile is not a drug-like molecule.
| MolName | (Z)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-naphthalen-2-ylprop-2-enenitrile |
| MolecularFormula | C23H13NOCl2 |
| Smiles | N#C/C(/c1cc2ccccc2cc1)=C\c1ccc(-c(cc2)cc(Cl)c2Cl)o1 |
| InChI | InChI=1S/C23H13Cl2NO/c24-21-9-7-18(13-22(21)25)23-10-8-20(27-23)12-19(14-26)17-6-5-15-3-1-2-4-16(15)11-17/h1-13H |
| InChIK | FWDUTHLSCXEGPM-UHFFFAOYSA-N |
| TotalMolweight | 390.268 |
| Molweight | 390.268 |
| MonoisotopicMass | 389.037418 |
| CLogP | 6.6779 |
| CLogS | -8.167 |
| H Acceptors | 2 |
| TotalSurfaceArea | 294.33 |
| Relative PSA | 0.09401 |
| PolarSurfaceArea | 36.93 |
| Druglikeness | -3.4929 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| StereoCon |
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