Name: N-(4-chlorobenzyl)-4-hydroxy-6-(hydroxymethyl)-8-iodo-3-quinolinecarboxamide
SMILES:
O=C(NCc1ccc(Cl)cc1)c1cnc2c(I)cc(CO)cc2c1OMolecular Processing
Molecular formula
C18H14ClIN2O3
Molecular weight
468.68
Exact mass
467.9738
XLogP
3.62
TPSA
82.45
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
104.67
Supplementary Information
Details werden geladen…
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