(Z)-2-[4-[(4-chlorophenyl)methoxy]phenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
Formula:C23H15NOClF3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(Z)-2-[4-[(4-chlorophenyl)methoxy]phenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile is not a drug-like molecule.
| MolName | (Z)-2-[4-[(4-chlorophenyl)methoxy]phenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile |
| MolecularFormula | C23H15NOClF3 |
| Smiles | N#C/C(/c(cc1)ccc1OCc(cc1)ccc1Cl)=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C23H15ClF3NO/c24-21-9-3-17(4-10-21)15-29-22-11-5-18(6-12-22)19(14-28)13-16-1-7-20(8-2-16)23(25,26)27/h1-13H,15H2 |
| InChIK | KIRIDAFTJMGJSR-UHFFFAOYSA-N |
| TotalMolweight | 413.825 |
| Molweight | 413.825 |
| MonoisotopicMass | 413.079425 |
| CLogP | 6.135 |
| CLogS | -6.484 |
| H Acceptors | 2 |
| TotalSurfaceArea | 307.84 |
| Relative PSA | 0.076533 |
| PolarSurfaceArea | 33.02 |
| Druglikeness | -12.345 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| StereoCon |
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