(5E)-5-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]-4-methylidene-1,3-thiazol-2-amine
Formula:C11H8N4ClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]-4-methylidene-1,3-thiazol-2-amine is a drug-like molecule.
| MolName | (5E)-5-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]-4-methylidene-1,3-thiazol-2-amine |
| MolecularFormula | C11H8N4ClF3S |
| Smiles | C=C1N=C(N)S/C1=N/Nc(cc(C(F)(F)F)cc1)c1Cl |
| InChI | InChI=1S/C11H8ClF3N4S/c1-5-9(20-10(16)17-5)19-18-8-4-6(11(13,14)15)2-3-7(8)12/h2-4,18H,1H2,(H2,16,17) |
| InChIK | BJQZDWYPXFIKJW-UHFFFAOYSA-N |
| TotalMolweight | 320.726 |
| Molweight | 320.726 |
| MonoisotopicMass | 320.011027 |
| CLogP | 3.9741 |
| CLogS | -3.997 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 210.8 |
| Relative PSA | 0.31898 |
| PolarSurfaceArea | 88.07 |
| Druglikeness | -7.2771 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5E)-5-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]-4-methylidene-1,3-thiazol-2-amine | 2 - (5E)-5-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]-4-methylidene-1,3-thiazol-2-amine
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