SMILES:
CCOC(=O)CC(O)C(C)Oc1ccc(Oc2ccc(Br)cc2F)cc1Molecular Processing
Molecular formula
C19H20BrFO5
Molecular weight
427.27
Exact mass
426.0478
XLogP
4.46
TPSA
64.99
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
97.96
Supplementary Information
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