Name: 4-carboxy-2-isobutyl-6-(4-methylphenyl)-2H-pyridazin-3-one
SMILES:
Cc1ccc(-c2cc(C(=O)O)c(=O)n(CC(C)C)n2)cc1Molecular Processing
Molecular formula
C16H18N2O3
Molecular weight
286.33
Exact mass
286.1317
XLogP
2.57
TPSA
72.19
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
80.47
Supplementary Information
Details werden geladen…
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