SMILES:
O=C1C=CN=CC1[N+](=O)[O-]Molecular Processing
Molecular formula
C5H4N2O3
Molecular weight
140.1
Exact mass
140.0222
XLogP
-0.2
TPSA
72.57
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
33.42
Supplementary Information
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