(E)-2-(4-phenyl-1,3-thiazol-2-yl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
Formula:C19H11N2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(4-phenyl-1,3-thiazol-2-yl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(4-phenyl-1,3-thiazol-2-yl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile |
| MolecularFormula | C19H11N2F3S |
| Smiles | N#C/C(/c1nc(-c2ccccc2)cs1)=C\c1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C19H11F3N2S/c20-19(21,22)16-9-5-4-8-14(16)10-15(11-23)18-24-17(12-25-18)13-6-2-1-3-7-13/h1-10,12H |
| InChIK | YQXXELCQAWUVDT-UHFFFAOYSA-N |
| TotalMolweight | 356.37 |
| Molweight | 356.37 |
| MonoisotopicMass | 356.059502 |
| CLogP | 4.7612 |
| CLogS | -5.215 |
| H Acceptors | 2 |
| TotalSurfaceArea | 263.36 |
| Relative PSA | 0.17045 |
| PolarSurfaceArea | 64.92 |
| Druglikeness | -8.8405 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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