2-[(E)-2-[(2,6-dichlorophenyl)methoxyamino]ethenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile
Formula:C14H8N3OCl2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-[(2,6-dichlorophenyl)methoxyamino]ethenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile is a drug-like molecule.
| MolName | 2-[(E)-2-[(2,6-dichlorophenyl)methoxyamino]ethenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile |
| MolecularFormula | C14H8N3OCl2F3S |
| Smiles | N#Cc1c(C(F)(F)F)nc(/C=C/NOCc(c(Cl)ccc2)c2Cl)s1 |
| InChI | InChI=1S/C14H8Cl2F3N3OS/c15-9-2-1-3-10(16)8(9)7-23-21-5-4-12-22-13(14(17,18)19)11(6-20)24-12/h1-5,21H,7H2 |
| InChIK | BQTMIFQFFLGCJE-UHFFFAOYSA-N |
| TotalMolweight | 394.204 |
| Molweight | 394.204 |
| MonoisotopicMass | 392.97172 |
| CLogP | 3.3441 |
| CLogS | -5.988 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 271.45 |
| Relative PSA | 0.24443 |
| PolarSurfaceArea | 86.18 |
| Druglikeness | -10.189 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-2-[(2,6-dichlorophenyl)methoxyamino]ethenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile | 2 - 2-[(E)-2-[(2,6-dichlorophenyl)methoxyamino]ethenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile
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