CC(=O)OCC1OC(c2ccc(Cl)c(Cc3ccc(Br)s3)c2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
SMILES: CC(=O)OCC1OC(c2ccc(Cl)c(Cc3ccc(Br)s3)c2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Molecular Processing

Molecular formula
C25H26BrClO9S
Molecular weight
617.9
Exact mass
616.0169
XLogP
4.55
TPSA
114.43
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
8
Heavy atoms
37
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
137.19

Supplementary Information

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