SMILES:
O=C(O)c1ccc(COc2c(Br)cccc2Cc2ccccc2)cc1Molecular Processing
Molecular formula
C21H17BrO3
Molecular weight
397.27
Exact mass
396.0361
XLogP
5.32
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
25
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
0.095
Molar refractivity
101.12
Supplementary Information
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