SMILES:
COC(=O)c1cc([N+](=O)[O-])c2cc(C#N)ccc2c1Molecular Processing
Molecular formula
C13H8N2O4
Molecular weight
256.22
Exact mass
256.0484
XLogP
2.41
TPSA
93.23
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
66.66
Supplementary Information
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