5,7-bis(trifluoromethyl)-1H-1,8-naphthyridin-2-one
Formula:C10H4N2OF6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5,7-bis(trifluoromethyl)-1H-1,8-naphthyridin-2-one is a drug-like molecule.
| MolName | 5,7-bis(trifluoromethyl)-1H-1,8-naphthyridin-2-one |
| MolecularFormula | C10H4N2OF6 |
| Smiles | O=C(C=C1)Nc2c1c(C(F)(F)F)cc(C(F)(F)F)n2 |
| InChI | InChI=1S/C10H4F6N2O/c11-9(12,13)5-3-6(10(14,15)16)17-8-4(5)1-2-7(19)18-8/h1-3H,(H,17,18,19) |
| InChIK | NLJMPLJFQHFXMB-UHFFFAOYSA-N |
| TotalMolweight | 282.143 |
| Molweight | 282.143 |
| MonoisotopicMass | 282.022781 |
| CLogP | 2.0482 |
| CLogS | -3.722 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 173.15 |
| Relative PSA | 0.20485 |
| PolarSurfaceArea | 41.99 |
| Druglikeness | -7.6289 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42105 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 5,7-bis(trifluoromethyl)-1H-1,8-naphthyridin-2-one | 2 - 5,7-bis(trifluoromethyl)-1H-1,8-naphthyridin-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off