Название: 4-carboxy-2-(4-chlorocinnamyl)-6-(4-fluoro-3-methylphenyl)-2H-pyridazin-3-one
SMILES:
Cc1cc(-c2cc(C(=O)O)c(=O)n(CC=Cc3ccc(Cl)cc3)n2)ccc1FMolecular Processing
Molecular formula
C21H16ClFN2O3
Molecular weight
398.82
Exact mass
398.0833
XLogP
4.42
TPSA
72.19
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
28
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
0.095
Molar refractivity
106.07
Supplementary Information
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