8-chloro-6-(trifluoromethyl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide
Formula:C17H9N4OClF6
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
8-chloro-6-(trifluoromethyl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide is a drug-like molecule.
| MolName | 8-chloro-6-(trifluoromethyl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide |
| MolecularFormula | C17H9N4OClF6 |
| Smiles | O=C(c1cn(cc(C(F)(F)F)cc2Cl)c2n1)N/N=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C17H9ClF6N4O/c18-12-5-11(17(22,23)24)7-28-8-13(26-14(12)28)15(29)27-25-6-9-1-3-10(4-2-9)16(19,20)21/h1-8H,(H,27,29) |
| InChIK | SRTOHHPJSFJATO-UHFFFAOYSA-N |
| TotalMolweight | 434.726 |
| Molweight | 434.726 |
| MonoisotopicMass | 434.036906 |
| CLogP | 4.5007 |
| CLogS | -7.318 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 285.34 |
| Relative PSA | 0.19251 |
| PolarSurfaceArea | 58.76 |
| Druglikeness | -0.96758 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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