(Z)-2-[4-(3-fluoropropoxy)phenyl]-3-[3-(trifluoromethyl)anilino]prop-2-enenitrile
Formula:C19H16N2OF4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(Z)-2-[4-(3-fluoropropoxy)phenyl]-3-[3-(trifluoromethyl)anilino]prop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-2-[4-(3-fluoropropoxy)phenyl]-3-[3-(trifluoromethyl)anilino]prop-2-enenitrile |
| MolecularFormula | C19H16N2OF4 |
| Smiles | N#C/C(/c(cc1)ccc1OCCCF)=C\Nc1cccc(C(F)(F)F)c1 |
| InChI | InChI=1S/C19H16F4N2O/c20-9-2-10-26-18-7-5-14(6-8-18)15(12-24)13-25-17-4-1-3-16(11-17)19(21,22)23/h1,3-8,11,13,25H,2,9-10H2 |
| InChIK | GTLWCSIGFRNWCF-UHFFFAOYSA-N |
| TotalMolweight | 364.341 |
| Molweight | 364.341 |
| MonoisotopicMass | 364.119875 |
| CLogP | 3.9167 |
| CLogS | -5.016 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 277.99 |
| Relative PSA | 0.12598 |
| PolarSurfaceArea | 45.05 |
| Druglikeness | -12.468 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| StereoCon |
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