SMILES:
NS(=O)(=O)c1cc(C(=O)O)cc(NCC=CCBr)c1Oc1ccccc1Molecular Processing
Molecular formula
C17H17BrN2O5S
Molecular weight
441.3
Exact mass
440.0042
XLogP
3.19
TPSA
118.72
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
102.71
Supplementary Information
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