1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxyethanone
Formula:C18H13N2O2F5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxyethanone is a drug-like molecule.
| MolName | 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxyethanone |
| MolecularFormula | C18H13N2O2F5 |
| Smiles | O=C(CO/N=C\c(c(F)c(c(F)c1F)F)c1F)N(CCC1)c2c1cccc2 |
| InChI | InChI=1S/C18H13F5N2O2/c19-14-11(15(20)17(22)18(23)16(14)21)8-24-27-9-13(26)25-7-3-5-10-4-1-2-6-12(10)25/h1-2,4,6,8H,3,5,7,9H2 |
| InChIK | AQKWCZRZMPOCKZ-UHFFFAOYSA-N |
| TotalMolweight | 384.303 |
| Molweight | 384.303 |
| MonoisotopicMass | 384.089718 |
| CLogP | 4.4428 |
| CLogS | -5.758 |
| H Acceptors | 4 |
| TotalSurfaceArea | 269.12 |
| Relative PSA | 0.14157 |
| PolarSurfaceArea | 41.9 |
| Druglikeness | 1.8616 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | polyhalo aromatic ring |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxyethanone | 2 - 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxyethanone
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