SMILES:
N#CC1(C2CCOCC2)CCC(=O)CC1Molecular Processing
Molecular formula
C12H17NO2
Molecular weight
207.27
Exact mass
207.1259
XLogP
2.07
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
55.06
Supplementary Information
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