SMILES:
CCOC(=O)C(C#N)CC(C#N)C(=O)OCCMolecular Processing
Molecular formula
C11H14N2O4
Molecular weight
238.24
Exact mass
238.0954
XLogP
0.78
TPSA
100.18
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
17
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
56.09
Supplementary Information
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