SMILES:
CCOC(=O)C(C)(O)c1ccc2c(Br)c(OC)ccc2c1Molecular Processing
Molecular formula
C16H17BrO4
Molecular weight
353.21
Exact mass
352.031
XLogP
3.38
TPSA
55.76
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
84.4
Supplementary Information
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