SMILES:
O=CNC1C(=O)N2C(C(=O)O)=C(CBr)C(Br)S(=O)[C@H]12Molecular Processing
Molecular formula
C9H8Br2N2O5S
Molecular weight
416.05
Exact mass
413.8521
XLogP
-0.51
TPSA
103.78
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
19
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
4
Undefined stereo
3
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
72.93
Supplementary Information
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