(E)-2-(benzenesulfonyl)-3-[4-[3-(trifluoromethyl)phenoxy]anilino]prop-2-enenitrile
Formula:C22H15N2O3F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(benzenesulfonyl)-3-[4-[3-(trifluoromethyl)phenoxy]anilino]prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(benzenesulfonyl)-3-[4-[3-(trifluoromethyl)phenoxy]anilino]prop-2-enenitrile |
| MolecularFormula | C22H15N2O3F3S |
| Smiles | N#C/C(/S(c1ccccc1)(=O)=O)=C\Nc(cc1)ccc1Oc1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C22H15F3N2O3S/c23-22(24,25)16-5-4-6-19(13-16)30-18-11-9-17(10-12-18)27-15-21(14-26)31(28,29)20-7-2-1-3-8-20/h1-13,15,27H |
| InChIK | KGUQORXQLGSTTG-UHFFFAOYSA-N |
| TotalMolweight | 444.432 |
| Molweight | 444.432 |
| MonoisotopicMass | 444.075547 |
| CLogP | 3.8241 |
| CLogS | -7.264 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 318.7 |
| Relative PSA | 0.19956 |
| PolarSurfaceArea | 87.57 |
| Druglikeness | -18.381 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 7 |
| StereoCon |
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