Название: Methyl 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)5-nitroisonicotinate
SMILES:
COC(=O)c1cc(N2CCN3CCC2CC3)ncc1[N+](=O)[O-]Molecular Processing
Molecular formula
C14H18N4O4
Molecular weight
306.32
Exact mass
306.1328
XLogP
1.06
TPSA
88.81
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
22
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
0.571
Molar refractivity
79.04
Supplementary Information
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