SMILES:
CCOC1CCC(C(C)=O)=NO1Molecular Processing
Molecular formula
C8H13NO3
Molecular weight
171.2
Exact mass
171.0895
XLogP
1.1
TPSA
47.89
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
12
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
43.85
Supplementary Information
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