SMILES:
N#CC(C(N)=O)c1ccccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C9H7N3O3
Molecular weight
205.17
Exact mass
205.0487
XLogP
0.69
TPSA
110.02
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
50.64
Supplementary Information
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