SMILES:
Br.CN1CCc2cc(O)c(O)cc2C1C1(c2ccccc2Br)CCC1Molecular Processing
Molecular formula
C20H23Br2NO2
Molecular weight
469.22
Exact mass
467.0096
XLogP
5.09
TPSA
43.7
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
25
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.4
Molar refractivity
108.84
Supplementary Information
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