SMILES:
COc1cc2nccc(Oc3ccc4cc(Br)ccc4c3Br)c2cc1OCMolecular Processing
Molecular formula
C21H15Br2NO3
Molecular weight
489.16
Exact mass
486.9419
XLogP
6.72
TPSA
40.58
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.095
Molar refractivity
114.27
Supplementary Information
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