(Z)-3-[3,5-dichloro-4-(naphthalen-1-ylmethoxy)phenyl]-2-phenylprop-2-enenitrile
Formula:C26H17NOCl2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
(Z)-3-[3,5-dichloro-4-(naphthalen-1-ylmethoxy)phenyl]-2-phenylprop-2-enenitrile is not a drug-like molecule.
| MolName | (Z)-3-[3,5-dichloro-4-(naphthalen-1-ylmethoxy)phenyl]-2-phenylprop-2-enenitrile |
| MolecularFormula | C26H17NOCl2 |
| Smiles | N#C/C(/c1ccccc1)=C\c(cc1Cl)cc(Cl)c1OCc1cccc2ccccc12 |
| InChI | InChI=1S/C26H17Cl2NO/c27-24-14-18(13-22(16-29)19-7-2-1-3-8-19)15-25(28)26(24)30-17-21-11-6-10-20-9-4-5-12-23(20)21/h1-15H,17H2 |
| InChIK | MVFDWMAPJWVADR-UHFFFAOYSA-N |
| TotalMolweight | 430.333 |
| Molweight | 430.333 |
| MonoisotopicMass | 429.068718 |
| CLogP | 7.0871 |
| CLogS | -8.048 |
| H Acceptors | 2 |
| TotalSurfaceArea | 328.4 |
| Relative PSA | 0.071742 |
| PolarSurfaceArea | 33.02 |
| Druglikeness | -5.155 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| StereoCon |
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