Name: 4-carboxy-2-cyclopropylmethyl-6-(3-fluoro-4-methoxyphenyl)-2H-pyridazin-3-one
SMILES:
COc1ccc(-c2cc(C(=O)O)c(=O)n(CC3CC3)n2)cc1FMolecular Processing
Molecular formula
C16H15FN2O4
Molecular weight
318.3
Exact mass
318.1016
XLogP
2.17
TPSA
81.42
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
80.13
Supplementary Information
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