SMILES:
Clc1ccc(COc2ccc(Oc3cccc(Br)c3)cc2Cl)cn1Molecular Processing
Molecular formula
C18H12BrCl2NO2
Molecular weight
425.11
Exact mass
422.9428
XLogP
6.52
TPSA
31.35
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.056
Molar refractivity
99.25
Supplementary Information
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