Name: ethyl 6-[(acetyloxy)methyl]-4-hydroxy-8-iodo-3-quinolinecarboxylate
SMILES:
CCOC(=O)c1cnc2c(I)cc(COC(C)=O)cc2c1OMolecular Processing
Molecular formula
C15H14INO5
Molecular weight
415.18
Exact mass
414.9917
XLogP
2.78
TPSA
85.72
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
87.55
Supplementary Information
Details werden geladen…
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