SMILES:
CCN1C(=O)C(=O)C(C)=C(C#N)C1=OMolecular Processing
Molecular formula
C9H8N2O3
Molecular weight
192.17
Exact mass
192.0535
XLogP
-0.22
TPSA
78.24
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
14
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
45.71
Supplementary Information
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