SMILES:
CC(Br)C(=O)c1ccc2c(c1)OC(c1ccccc1)(c1ccccc1)O2Molecular Processing
Molecular formula
C22H17BrO3
Molecular weight
409.28
Exact mass
408.0361
XLogP
5.33
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.136
Molar refractivity
104.08
Supplementary Information
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