Nombre: Compound 11
SMILES:
Cc1nc(NCC(=O)O)nc(C)c1[N+](=O)[O-]Molecular Processing
Molecular formula
C8H10N4O4
Molecular weight
226.19
Exact mass
226.0702
XLogP
0.5
TPSA
118.25
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
54.29
Supplementary Information
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