N-[(Z)-pyridin-3-ylmethylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine
Formula:C15H10N5F3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-pyridin-3-ylmethylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine is a drug-like molecule.
| MolName | N-[(Z)-pyridin-3-ylmethylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine |
| MolecularFormula | C15H10N5F3 |
| Smiles | FC(c1nc2ccccc2nc1N/N=C\c1cnccc1)(F)F |
| InChI | InChI=1S/C15H10F3N5/c16-15(17,18)13-14(22-12-6-2-1-5-11(12)21-13)23-20-9-10-4-3-7-19-8-10/h1-9H,(H,22,23) |
| InChIK | NRTGVNNPZNAREY-UHFFFAOYSA-N |
| TotalMolweight | 317.273 |
| Molweight | 317.273 |
| MonoisotopicMass | 317.088829 |
| CLogP | 4.5313 |
| CLogS | -3.487 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 229.58 |
| Relative PSA | 0.2434 |
| PolarSurfaceArea | 63.06 |
| Druglikeness | -4.7675 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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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