SMILES:
NC(=O)c1cc(Br)cc2c(C3CCS(=O)(=O)C3)c[nH]c12Molecular Processing
Molecular formula
C13H13BrN2O3S
Molecular weight
357.23
Exact mass
355.983
XLogP
1.93
TPSA
93.02
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
80.53
Supplementary Information
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