SMILES:
O=C(c1ccc(Cl)c(Cl)c1)c1cn(Cc2cccc(Br)n2)c2ccccc2c1=OMolecular Processing
Molecular formula
C22H13BrCl2N2O2
Molecular weight
488.17
Exact mass
485.9537
XLogP
5.75
TPSA
51.96
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
29
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.045
Molar refractivity
119.14
Supplementary Information
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