N-[(Z)-furan-2-ylmethylideneamino]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine
Formula:C15H8N4OF6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-2-ylmethylideneamino]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine |
| MolecularFormula | C15H8N4OF6 |
| Smiles | FC(c1cc(C(F)(F)F)nc2nc(N/N=C\c3ccco3)ccc12)(F)F |
| InChI | InChI=1S/C15H8F6N4O/c16-14(17,18)10-6-11(15(19,20)21)23-13-9(10)3-4-12(24-13)25-22-7-8-2-1-5-26-8/h1-7H,(H,23,24,25) |
| InChIK | QYJAYIYGPYRRKV-UHFFFAOYSA-N |
| TotalMolweight | 374.244 |
| Molweight | 374.244 |
| MonoisotopicMass | 374.060229 |
| CLogP | 5.7296 |
| CLogS | -5.692 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 249.97 |
| Relative PSA | 0.23611 |
| PolarSurfaceArea | 63.31 |
| Druglikeness | -5.3588 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-furan-2-ylmethylideneamino]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine | 2 - N-[(Z)-furan-2-ylmethylideneamino]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine
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