SMILES:
Cc1cc(C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)c([N+](=O)[O-])cc1[N+](=O)[O-]Molecular Processing
Molecular formula
C22H15N5O5
Molecular weight
429.39
Exact mass
429.1073
XLogP
5.4
TPSA
155.12
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
32
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
0.091
Molar refractivity
114.9
Supplementary Information
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