2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
Formula:C19H18N2O3F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is a drug-like molecule.
| MolName | 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone |
| MolecularFormula | C19H18N2O3F2 |
| Smiles | O=C(CO/N=C\c(cccc1)c1OC(F)F)N(CCC1)c2c1cccc2 |
| InChI | InChI=1S/C19H18F2N2O3/c20-19(21)26-17-10-4-2-7-15(17)12-22-25-13-18(24)23-11-5-8-14-6-1-3-9-16(14)23/h1-4,6-7,9-10,12,19H,5,8,11,13H2 |
| InChIK | SNGULYQILOXEHJ-UHFFFAOYSA-N |
| TotalMolweight | 360.359 |
| Molweight | 360.359 |
| MonoisotopicMass | 360.128549 |
| CLogP | 4.1082 |
| CLogS | -4.81 |
| H Acceptors | 5 |
| TotalSurfaceArea | 272.57 |
| Relative PSA | 0.17647 |
| PolarSurfaceArea | 51.13 |
| Druglikeness | 0.3898 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone | 2 - 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
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