N-[(Z)-(2,5-difluorophenyl)methylideneamino]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine
Formula:C17H8N4F8
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,5-difluorophenyl)methylideneamino]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2,5-difluorophenyl)methylideneamino]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine |
| MolecularFormula | C17H8N4F8 |
| Smiles | FC(c1c(ccc(N/N=C\c(cc(cc2)F)c2F)n2)c2nc(C(F)(F)F)c1)(F)F |
| InChI | InChI=1S/C17H8F8N4/c18-9-1-3-12(19)8(5-9)7-26-29-14-4-2-10-11(16(20,21)22)6-13(17(23,24)25)27-15(10)28-14/h1-7H,(H,27,28,29) |
| InChIK | WWPAACOFFJGJGO-UHFFFAOYSA-N |
| TotalMolweight | 420.263 |
| Molweight | 420.263 |
| MonoisotopicMass | 420.06212 |
| CLogP | 6.7425 |
| CLogS | -6.638 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 272.98 |
| Relative PSA | 0.16452 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | -4.7675 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2,5-difluorophenyl)methylideneamino]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine | 2 - N-[(Z)-(2,5-difluorophenyl)methylideneamino]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine
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