SMILES:
O=C(Nc1ccc(N2CCOCC2)nc1)Oc1ccc([N+](=O)[O-])cc1Molecular Processing
Molecular formula
C16H16N4O5
Molecular weight
344.33
Exact mass
344.1121
XLogP
2.44
TPSA
106.83
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
90.01
Supplementary Information
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