SMILES:
Cc1c(-c2nnc(N)c(Nc3ccc(C(=O)N4CCOCC4)cc3)n2)cccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C21H21N7O4
Molecular weight
435.44
Exact mass
435.1655
XLogP
2.55
TPSA
149.4
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
117.51
Supplementary Information
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