1-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-3-[(hydroxyimino)methyl]pyridin-1-ium--chloride (1/1)
Chemical Structure Depiction of
1-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-3-[(hydroxyimino)methyl]pyridin-1-ium--chloride (1/1)
1-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-3-[(hydroxyimino)methyl]pyridin-1-ium--chloride (1/1)
Compound characteristics
Compound ID: | 0173-0052 |
Compound Name: | 1-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-3-[(hydroxyimino)methyl]pyridin-1-ium--chloride (1/1) |
Molecular Weight: | 331.8 |
Molecular Formula: | C17 H18 N3 O2 |
Salt: | Cl- |
Smiles: | C1Cc2ccccc2N(C1)C(C[n+]1cccc(/C=N/O)c1)=O |
Stereo: | ACHIRAL |
logP: | 2.3043 |
logD: | 2.3031 |
logSw: | -2.3769 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 46.996 |
InChI Key: | UWFZKTNQMDDIIP-WOJGMQOQSA-O |