SMILES:
CC(=O)OCCOc1ccc(C(=O)c2ccc(CBr)cc2)cc1Molecular Processing
Molecular formula
C18H17BrO4
Molecular weight
377.23
Exact mass
376.031
XLogP
3.75
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
91.08
Supplementary Information
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