SMILES:
Cc1noc(NS(=O)(=O)c2ccsc2C(=O)NC(=O)c2ccc3c(c2)OCO3)c1BrMolecular Processing
Molecular formula
C17H12BrN3O7S2
Molecular weight
514.34
Exact mass
512.93
XLogP
2.91
TPSA
136.83
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
108.43
Supplementary Information
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