SMILES:
CCOC(=O)C(C#N)c1ccc(OC)cc1[N+](=O)[O-]Molecular Processing
Molecular formula
C12H12N2O5
Molecular weight
264.24
Exact mass
264.0746
XLogP
1.77
TPSA
102.46
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
64.64
Supplementary Information
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