SMILES:
CC(CC(=O)[C@@H]1CCC(=O)N1C)=NOMolecular Processing
Molecular formula
C9H14N2O3
Molecular weight
198.22
Exact mass
198.1004
XLogP
0.42
TPSA
69.97
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
50.31
Supplementary Information
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