N-[(Z)-(3-chlorophenyl)methylideneamino]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine
Formula:C17H9N4ClF6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-chlorophenyl)methylideneamino]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(3-chlorophenyl)methylideneamino]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine |
| MolecularFormula | C17H9N4ClF6 |
| Smiles | FC(c1c(ccc(N/N=C\c2cccc(Cl)c2)n2)c2nc(C(F)(F)F)c1)(F)F |
| InChI | InChI=1S/C17H9ClF6N4/c18-10-3-1-2-9(6-10)8-25-28-14-5-4-11-12(16(19,20)21)7-13(17(22,23)24)26-15(11)27-14/h1-8H,(H,26,27,28) |
| InChIK | ODUHCVCXHRTYKP-UHFFFAOYSA-N |
| TotalMolweight | 418.727 |
| Molweight | 418.727 |
| MonoisotopicMass | 418.041991 |
| CLogP | 7.1469 |
| CLogS | -6.746 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 275.7 |
| Relative PSA | 0.16289 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | -4.8055 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| 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)-(3-chlorophenyl)methylideneamino]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine | 2 - N-[(Z)-(3-chlorophenyl)methylideneamino]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine
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