SMILES:
O=C(O)c1ccc(Br)cc1N1CCCS1(=O)=OMolecular Processing
Molecular formula
C10H10BrNO4S
Molecular weight
320.16
Exact mass
318.9514
XLogP
1.69
TPSA
74.68
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
66.85
Supplementary Information
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