이름: 5-methyl-2-(pyridazin-3-yl)benzoic acid
SMILES:
Cc1ccc(-c2cccnn2)c(C(=O)O)c1Molecular Processing
Molecular formula
C12H10N2O2
Molecular weight
214.22
Exact mass
214.0742
XLogP
2.15
TPSA
63.08
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
59.16
Supplementary Information
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