SMILES:
NCCNS(=O)(=O)c1cc(Br)cc2cnccc12Molecular Processing
Molecular formula
C11H12BrN3O2S
Molecular weight
330.21
Exact mass
328.9834
XLogP
1.23
TPSA
85.08
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
73.69
Supplementary Information
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