(3Z)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-3-[2-[3-(trifluoromethyl)phenoxy]ethoxyimino]propan-1-one
Formula:C21H16N2O3ClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-3-[2-[3-(trifluoromethyl)phenoxy]ethoxyimino]propan-1-one is not a drug-like molecule.
| MolName | (3Z)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-3-[2-[3-(trifluoromethyl)phenoxy]ethoxyimino]propan-1-one |
| MolecularFormula | C21H16N2O3ClF3S |
| Smiles | O=C(C/C=N\OCCOc1cc(C(F)(F)F)ccc1)c1cnc(-c(cc2)ccc2Cl)s1 |
| InChI | InChI=1S/C21H16ClF3N2O3S/c22-16-6-4-14(5-7-16)20-26-13-19(31-20)18(28)8-9-27-30-11-10-29-17-3-1-2-15(12-17)21(23,24)25/h1-7,9,12-13H,8,10-11H2 |
| InChIK | BLENRGWZGJGFIN-UHFFFAOYSA-N |
| TotalMolweight | 468.882 |
| Molweight | 468.882 |
| MonoisotopicMass | 468.052224 |
| CLogP | 5.2875 |
| CLogS | -5.858 |
| H Acceptors | 5 |
| TotalSurfaceArea | 336.15 |
| Relative PSA | 0.22573 |
| PolarSurfaceArea | 89.02 |
| Druglikeness | -8.8759 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (3Z)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-3-[2-[3-(trifluoromethyl)phenoxy]ethoxyimino]propan-1-one | 2 - (3Z)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-3-[2-[3-(trifluoromethyl)phenoxy]ethoxyimino]propan-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off