3-(2,6-dichlorophenyl)-5-[(E)-2-[2-(trifluoromethyl)anilino]ethenyl]-1,2-oxazole-4-carbonitrile
Formula:C19H10N3OCl2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(2,6-dichlorophenyl)-5-[(E)-2-[2-(trifluoromethyl)anilino]ethenyl]-1,2-oxazole-4-carbonitrile is not a drug-like molecule.
| MolName | 3-(2,6-dichlorophenyl)-5-[(E)-2-[2-(trifluoromethyl)anilino]ethenyl]-1,2-oxazole-4-carbonitrile |
| MolecularFormula | C19H10N3OCl2F3 |
| Smiles | N#Cc1c(/C=C/Nc2c(C(F)(F)F)cccc2)onc1-c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C19H10Cl2F3N3O/c20-13-5-3-6-14(21)17(13)18-11(10-25)16(28-27-18)8-9-26-15-7-2-1-4-12(15)19(22,23)24/h1-9,26H |
| InChIK | GQEIZUDMUHSGAI-UHFFFAOYSA-N |
| TotalMolweight | 424.208 |
| Molweight | 424.208 |
| MonoisotopicMass | 423.0153 |
| CLogP | 5.1477 |
| CLogS | -7.62 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 301.2 |
| Relative PSA | 0.16633 |
| PolarSurfaceArea | 61.85 |
| Druglikeness | -9.9409 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 3-(2,6-dichlorophenyl)-5-[(E)-2-[2-(trifluoromethyl)anilino]ethenyl]-1,2-oxazole-4-carbonitrile | 2 - 3-(2,6-dichlorophenyl)-5-[(E)-2-[2-(trifluoromethyl)anilino]ethenyl]-1,2-oxazole-4-carbonitrile
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