| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine |
| MolecularFormula | C17H8N4Cl2F6 |
| Smiles | FC(c1c(ccc(N/N=C\c(ccc(Cl)c2)c2Cl)n2)c2nc(C(F)(F)F)c1)(F)F |
| InChI | InChI=1S/C17H8Cl2F6N4/c18-9-2-1-8(12(19)5-9)7-26-29-14-4-3-10-11(16(20,21)22)6-13(17(23,24)25)27-15(10)28-14/h1-7H,(H,27,28,29) |
| InChIK | QTCHJVIDFUENOZ-UHFFFAOYSA-N |
| TotalMolweight | 453.173 |
| Molweight | 453.173 |
| MonoisotopicMass | 452.003018 |
| CLogP | 7.7529 |
| CLogS | -7.482 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 291.12 |
| Relative PSA | 0.15427 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | -4.8055 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| 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)-(2,4-dichlorophenyl)methylideneamino]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine | 2 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine