Name: 4-carboxy-6-(3-fluoro-4-methyl-phenyl)-2-isobutyl-2H-pyridazin-3-one
SMILES:
Cc1ccc(-c2cc(C(=O)O)c(=O)n(CC(C)C)n2)cc1FMolecular Processing
Molecular formula
C16H17FN2O3
Molecular weight
304.32
Exact mass
304.1223
XLogP
2.71
TPSA
72.19
H-bond donors
1
H-bond acceptors
3
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
6
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
80.43
Supplementary Information
Details werden geladen…
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