8-chloro-N-[(Z)-(4-chlorophenyl)methylideneamino]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
Formula:C16H9N4OCl2F3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
8-chloro-N-[(Z)-(4-chlorophenyl)methylideneamino]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is a drug-like molecule.
| MolName | 8-chloro-N-[(Z)-(4-chlorophenyl)methylideneamino]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide |
| MolecularFormula | C16H9N4OCl2F3 |
| Smiles | O=C(c1cn(cc(C(F)(F)F)cc2Cl)c2n1)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C16H9Cl2F3N4O/c17-11-3-1-9(2-4-11)6-22-24-15(26)13-8-25-7-10(16(19,20)21)5-12(18)14(25)23-13/h1-8H,(H,24,26) |
| InChIK | PJHZBJYQHADXII-UHFFFAOYSA-N |
| TotalMolweight | 401.174 |
| Molweight | 401.174 |
| MonoisotopicMass | 400.010549 |
| CLogP | 4.2584 |
| CLogS | -7.276 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 271.3 |
| Relative PSA | 0.20247 |
| 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 | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 8-chloro-N-[(Z)-(4-chlorophenyl)methylideneamino]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide | 2 - 8-chloro-N-[(Z)-(4-chlorophenyl)methylideneamino]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
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