名称: 4-[3-(R,S)-hydroxy-3-(3-fluoro-6-methoxyquinolin-4-yl)propyl)piperidine-3-carboxylate dihydrochloride
SMILES:
COc1ccc2ncc(F)c(C(O)CCC3CCNCC3C(=O)O)c2c1.Cl.ClMolecular Processing
Molecular formula
C19H25Cl2FN2O4
Molecular weight
435.32
Exact mass
434.1175
XLogP
3.35
TPSA
91.68
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
9
Covalent units
3
Fraction Csp3
0.474
Molar refractivity
109.05
Supplementary Information
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