SMILES:
CCOC(=O)COc1ccc(OCCc2ccc(Br)s2)cc1CMolecular Processing
Molecular formula
C17H19BrO4S
Molecular weight
399.31
Exact mass
398.0187
XLogP
4.38
TPSA
44.76
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
94.53
Supplementary Information
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