SMILES:
COc1ccc2[nH]c(-c3n[nH]c4ccc(NS(=O)(=O)c5ccccc5S(C)(=O)=O)cc34)cc2c1Molecular Processing
Molecular formula
C23H20N4O5S2
Molecular weight
496.57
Exact mass
496.0875
XLogP
3.92
TPSA
134.01
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
34
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.087
Molar refractivity
130.3
Supplementary Information
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