SMILES:
N#Cc1ccc(C(=O)CCC(=O)O)cc1[N+](=O)[O-]Molecular Processing
Molecular formula
C11H8N2O5
Molecular weight
248.19
Exact mass
248.0433
XLogP
1.51
TPSA
121.3
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
59.01
Supplementary Information
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