Название: 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-nitroisonicotinic acid
SMILES:
O=C(O)c1cc(N2CCN3CCC2CC3)ncc1[N+](=O)[O-]Molecular Processing
Molecular formula
C13H16N4O4
Molecular weight
292.3
Exact mass
292.1172
XLogP
0.97
TPSA
99.81
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
21
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
74.66
Supplementary Information
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