Name: 126a
SMILES:
N#CCC(=O)C1CC1Molecular Processing
Molecular formula
C6H7NO
Molecular weight
109.13
Exact mass
109.0528
XLogP
0.88
TPSA
40.86
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
8
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
27.96
Supplementary Information
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