2-[(Z)-(2-chlorophenyl)methylideneamino]oxy-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
Formula:C18H17N2O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(2-chlorophenyl)methylideneamino]oxy-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is a drug-like molecule.
| MolName | 2-[(Z)-(2-chlorophenyl)methylideneamino]oxy-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone |
| MolecularFormula | C18H17N2O2Cl |
| Smiles | O=C(CO/N=C\c(cccc1)c1Cl)N(CCC1)c2c1cccc2 |
| InChI | InChI=1S/C18H17ClN2O2/c19-16-9-3-1-7-15(16)12-20-23-13-18(22)21-11-5-8-14-6-2-4-10-17(14)21/h1-4,6-7,9-10,12H,5,8,11,13H2 |
| InChIK | PQFRXYJRJSXENN-UHFFFAOYSA-N |
| TotalMolweight | 328.798 |
| Molweight | 328.798 |
| MonoisotopicMass | 328.097855 |
| CLogP | 4.5448 |
| CLogS | -4.924 |
| H Acceptors | 4 |
| TotalSurfaceArea | 252.79 |
| Relative PSA | 0.15072 |
| PolarSurfaceArea | 41.9 |
| Druglikeness | 3.244 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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-chlorophenyl)methylideneamino]oxy-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone | 2 - 2-[(Z)-(2-chlorophenyl)methylideneamino]oxy-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
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