Name: 4-carboxy-2-(4-chlorobenzyl)-6-(3-fluoro-4-methoxyphenyl)-2H-pyridazin-3-one
SMILES:
COc1ccc(-c2cc(C(=O)O)c(=O)n(Cc3ccc(Cl)cc3)n2)cc1FMolecular Processing
Molecular formula
C19H14ClFN2O4
Molecular weight
388.78
Exact mass
388.0626
XLogP
3.46
TPSA
81.42
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.105
Molar refractivity
97.96
Supplementary Information
Details werden geladen…
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