SMILES:
CCOC(=O)C[C@H](O)CN=[N+]=[N-]Molecular Processing
Molecular formula
C6H11N3O3
Molecular weight
173.17
Exact mass
173.08
XLogP
0.61
TPSA
95.29
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
12
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
41.27
Supplementary Information
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