SMILES:
CNc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(NC)n1.ClMolecular Processing
Molecular formula
C12H17ClN6O2S
Molecular weight
344.83
Exact mass
344.0822
XLogP
1.36
TPSA
122.03
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.167
Molar refractivity
90.04
Supplementary Information
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