SMILES:
COc1cc(C#N)c([N+](=O)[O-])cc1OCMolecular Processing
Molecular formula
C9H8N2O4
Molecular weight
208.17
Exact mass
208.0484
XLogP
1.48
TPSA
85.39
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
50.92
Supplementary Information
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