SMILES:
CCOC(=O)C(C#N)C(=O)c1cccn1CMolecular Processing
Molecular formula
C11H12N2O3
Molecular weight
220.23
Exact mass
220.0848
XLogP
0.91
TPSA
72.09
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
55.48
Supplementary Information
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