1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(Z)-thiophen-2-ylmethylideneamino]oxyethanone
Formula:C16H16N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(Z)-thiophen-2-ylmethylideneamino]oxyethanone is a drug-like molecule.
| MolName | 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(Z)-thiophen-2-ylmethylideneamino]oxyethanone |
| MolecularFormula | C16H16N2O2S |
| Smiles | O=C(CO/N=C\c1cccs1)N(CCC1)c2c1cccc2 |
| InChI | InChI=1S/C16H16N2O2S/c19-16(12-20-17-11-14-7-4-10-21-14)18-9-3-6-13-5-1-2-8-15(13)18/h1-2,4-5,7-8,10-11H,3,6,9,12H2 |
| InChIK | WHDLVKLZEABFFU-UHFFFAOYSA-N |
| TotalMolweight | 300.381 |
| Molweight | 300.381 |
| MonoisotopicMass | 300.093248 |
| CLogP | 3.8054 |
| CLogS | -4.198 |
| H Acceptors | 4 |
| TotalSurfaceArea | 233.31 |
| Relative PSA | 0.25057 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 4.8845 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(Z)-thiophen-2-ylmethylideneamino]oxyethanone | 2 - 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(Z)-thiophen-2-ylmethylideneamino]oxyethanone
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