SMILES:
O=C(COc1ccccc1)NC1C(=O)N2C(C(=O)O)=C(CBr)C(Br)S(=O)[C@H]12Molecular Processing
Molecular formula
C16H14Br2N2O6S
Molecular weight
522.17
Exact mass
519.8939
XLogP
0.94
TPSA
113.01
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
4
Undefined stereo
3
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
103.81
Supplementary Information
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