SMILES:
Cc1cc(Br)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc(/C=C/N(C)C)c1[N+](=O)[O-]Molecular Processing
Molecular formula
C23H21BrN6O3
Molecular weight
509.36
Exact mass
508.0859
XLogP
5.7
TPSA
117.21
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
33
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
0.174
Molar refractivity
129.54
Supplementary Information
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