SMILES:
Cc1ccc([N+](=O)[O-])c(O)c1C#NMolecular Processing
Molecular formula
C8H6N2O3
Molecular weight
178.15
Exact mass
178.0378
XLogP
1.48
TPSA
87.16
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
44.21
Supplementary Information
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