SMILES:
O=[N+]([O-])c1ccc(Oc2ccc3c(c2)CCC(c2cccc(Br)c2)O3)nc1Molecular Processing
Molecular formula
C20H15BrN2O4
Molecular weight
427.25
Exact mass
426.0215
XLogP
5.61
TPSA
74.49
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.15
Molar refractivity
103.24
Supplementary Information
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