5,7-bis(trifluoromethyl)-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,8-naphthyridin-2-amine
Formula:C18H9N4F9
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5,7-bis(trifluoromethyl)-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,8-naphthyridin-2-amine is not a drug-like molecule.
| MolName | 5,7-bis(trifluoromethyl)-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,8-naphthyridin-2-amine |
| MolecularFormula | C18H9N4F9 |
| Smiles | FC(c1cccc(/C=N\Nc2ccc(c(C(F)(F)F)cc(C(F)(F)F)n3)c3n2)c1)(F)F |
| InChI | InChI=1S/C18H9F9N4/c19-16(20,21)10-3-1-2-9(6-10)8-28-31-14-5-4-11-12(17(22,23)24)7-13(18(25,26)27)29-15(11)30-14/h1-8H,(H,29,30,31) |
| InChIK | NIERQVWRAHKRKP-UHFFFAOYSA-N |
| TotalMolweight | 452.279 |
| Molweight | 452.279 |
| MonoisotopicMass | 452.068348 |
| CLogP | 7.3892 |
| CLogS | -6.788 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 289.74 |
| Relative PSA | 0.155 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | -4.7675 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 5,7-bis(trifluoromethyl)-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,8-naphthyridin-2-amine | 2 - 5,7-bis(trifluoromethyl)-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,8-naphthyridin-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off