2-[(Z)-(2,4-dichlorophenyl)methylideneamino]oxy-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
Formula:C18H16N2O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(2,4-dichlorophenyl)methylideneamino]oxy-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is not a drug-like molecule.
| MolName | 2-[(Z)-(2,4-dichlorophenyl)methylideneamino]oxy-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone |
| MolecularFormula | C18H16N2O2Cl2 |
| Smiles | O=C(CO/N=C\c(ccc(Cl)c1)c1Cl)N(CCC1)c2c1cccc2 |
| InChI | InChI=1S/C18H16Cl2N2O2/c19-15-8-7-14(16(20)10-15)11-21-24-12-18(23)22-9-3-5-13-4-1-2-6-17(13)22/h1-2,4,6-8,10-11H,3,5,9,12H2 |
| InChIK | KYVQPIVSXZPDTM-UHFFFAOYSA-N |
| TotalMolweight | 363.243 |
| Molweight | 363.243 |
| MonoisotopicMass | 362.058882 |
| CLogP | 5.1508 |
| CLogS | -5.66 |
| H Acceptors | 4 |
| TotalSurfaceArea | 268.21 |
| Relative PSA | 0.14205 |
| PolarSurfaceArea | 41.9 |
| Druglikeness | 3.244 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 2-[(Z)-(2,4-dichlorophenyl)methylideneamino]oxy-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone | 2 - 2-[(Z)-(2,4-dichlorophenyl)methylideneamino]oxy-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
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