Name: 2-chloro-4-(3-((7-methoxyquinolin-4-yloxy)methyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)benzoic acid
SMILES:
COc1ccc2c(OCc3nnc4ccc(-c5ccc(C(=O)O)c(Cl)c5)nn34)ccnc2c1Molecular Processing
Molecular formula
C23H16ClN5O4
Molecular weight
461.87
Exact mass
461.0891
XLogP
4.28
TPSA
111.73
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
33
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.087
Molar refractivity
120.81
Supplementary Information
Details werden geladen…
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