SMILES:
CC(C)(C)OC(=O)C1(C#N)CCOCC1Molecular Processing
Molecular formula
C11H17NO3
Molecular weight
211.26
Exact mass
211.1208
XLogP
1.65
TPSA
59.32
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
15
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.818
Molar refractivity
53.94
Supplementary Information
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