(E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)anilino]prop-2-enenitrile
Formula:C19H11N3ClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)anilino]prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)anilino]prop-2-enenitrile |
| MolecularFormula | C19H11N3ClF3S |
| Smiles | N#C/C(/c1nc(-c(cc2)ccc2Cl)cs1)=C\Nc1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C19H11ClF3N3S/c20-15-6-4-12(5-7-15)17-11-27-18(26-17)13(9-24)10-25-16-3-1-2-14(8-16)19(21,22)23/h1-8,10-11,25H |
| InChIK | HYUODHAZFDBDFO-UHFFFAOYSA-N |
| TotalMolweight | 405.83 |
| Molweight | 405.83 |
| MonoisotopicMass | 405.031428 |
| CLogP | 4.5379 |
| CLogS | -5.897 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 290.24 |
| Relative PSA | 0.19415 |
| PolarSurfaceArea | 76.95 |
| Druglikeness | -8.8192 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)anilino]prop-2-enenitrile | 2 - (E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)anilino]prop-2-enenitrile
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