이름: 2-(4-methyl-3-pivalamidophenyl)imidazo[1,2-b]pyridazin-6-ylboronic acid
SMILES:
Cc1ccc(-c2cn3nc(B(O)O)ccc3n2)cc1NC(=O)C(C)(C)CMolecular Processing
Molecular formula
C18H21BN4O3
Molecular weight
352.2
Exact mass
352.1707
XLogP
1.37
TPSA
99.75
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
101.07
Supplementary Information
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