SMILES:
Nc1nc(Nc2ccc(Cl)cc2)cc(-c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)n1Molecular Processing
Molecular formula
C23H17BrClN5O3
Molecular weight
526.78
Exact mass
525.0203
XLogP
6.37
TPSA
116.2
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
33
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.043
Molar refractivity
131.74
Supplementary Information
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