SMILES:
Cc1cc(-c2ccc(C#N)cc2)nc(-c2cccc(-c3cccc(S(N)(=O)=O)c3)n2)n1Molecular Processing
Molecular formula
C23H17N5O2S
Molecular weight
427.49
Exact mass
427.1103
XLogP
3.7
TPSA
122.62
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
31
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.043
Molar refractivity
116.96
Supplementary Information
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