N-[(Z)-pyridin-2-ylmethylideneamino]-3-(trifluoromethyl)quinoxaline-2-carboxamide
Formula:C16H10N5OF3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-pyridin-2-ylmethylideneamino]-3-(trifluoromethyl)quinoxaline-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-pyridin-2-ylmethylideneamino]-3-(trifluoromethyl)quinoxaline-2-carboxamide |
| MolecularFormula | C16H10N5OF3 |
| Smiles | O=C(c1nc2ccccc2nc1C(F)(F)F)N/N=C\c1ncccc1 |
| InChI | InChI=1S/C16H10F3N5O/c17-16(18,19)14-13(22-11-6-1-2-7-12(11)23-14)15(25)24-21-9-10-5-3-4-8-20-10/h1-9H,(H,24,25) |
| InChIK | HNWXCZLQMOWKSX-UHFFFAOYSA-N |
| TotalMolweight | 345.283 |
| Molweight | 345.283 |
| MonoisotopicMass | 345.083744 |
| CLogP | 2.6486 |
| CLogS | -3.582 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 247.33 |
| Relative PSA | 0.27866 |
| PolarSurfaceArea | 80.13 |
| Druglikeness | -2.7213 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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