SMILES:
Cc1cc(Br)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)c([N+](=O)[O-])cc1[N+](=O)[O-]Molecular Processing
Molecular formula
C21H15BrN4O5
Molecular weight
483.28
Exact mass
482.0226
XLogP
6.29
TPSA
131.33
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.095
Molar refractivity
117.88
Supplementary Information
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