2-[(E)-2-(4-chloroanilino)ethenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile
Formula:C13H7N3ClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(4-chloroanilino)ethenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile is a drug-like molecule.
| MolName | 2-[(E)-2-(4-chloroanilino)ethenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile |
| MolecularFormula | C13H7N3ClF3S |
| Smiles | N#Cc1c(C(F)(F)F)nc(/C=C/Nc(cc2)ccc2Cl)s1 |
| InChI | InChI=1S/C13H7ClF3N3S/c14-8-1-3-9(4-2-8)19-6-5-11-20-12(13(15,16)17)10(7-18)21-11/h1-6,19H |
| InChIK | HHUOZVDVWGCTGZ-UHFFFAOYSA-N |
| TotalMolweight | 329.733 |
| Molweight | 329.733 |
| MonoisotopicMass | 329.000128 |
| CLogP | 3.2935 |
| CLogS | -5.149 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 232.27 |
| Relative PSA | 0.24261 |
| PolarSurfaceArea | 76.95 |
| Druglikeness | -9.9446 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-2-(4-chloroanilino)ethenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile | 2 - 2-[(E)-2-(4-chloroanilino)ethenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile
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