CC(=O)OC1CSC(Oc2ccc(Br)nc2)C(OC(C)=O)C1OC(C)=O
SMILES: CC(=O)OC1CSC(Oc2ccc(Br)nc2)C(OC(C)=O)C1OC(C)=O

Molecular Processing

Molecular formula
C16H18BrNO7S
Molecular weight
448.29
Exact mass
446.9987
XLogP
2.09
TPSA
101.02
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
26
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
95.47

Supplementary Information

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