| MolName | N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine |
| MolecularFormula | C19H12N4F6 |
| Smiles | FC(c1cc(C(F)(F)F)nc2nc(N/N=C\C=C\c3ccccc3)ccc12)(F)F |
| InChI | InChI=1S/C19H12F6N4/c20-18(21,22)14-11-15(19(23,24)25)27-17-13(14)8-9-16(28-17)29-26-10-4-7-12-5-2-1-3-6-12/h1-11H,(H,27,28,29) |
| InChIK | JWUVYKHWSZQPBU-UHFFFAOYSA-N |
| TotalMolweight | 410.32 |
| Molweight | 410.32 |
| MonoisotopicMass | 410.096614 |
| CLogP | 6.5592 |
| CLogS | -6.302 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 286.78 |
| Relative PSA | 0.1566 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | -4.8948 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine | 2 - N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine