SMILES:
O=C(Cc1ccc(OCc2ccccc2)c(Br)c1)OCc1ccccc1Molecular Processing
Molecular formula
C22H19BrO3
Molecular weight
411.3
Exact mass
410.0518
XLogP
5.31
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.136
Molar refractivity
104.86
Supplementary Information
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