SMILES:
CCCCC(=O)OC#NMolecular Processing
Molecular formula
C6H9NO2
Molecular weight
127.14
Exact mass
127.0633
XLogP
1.2
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
9
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
31.23
Supplementary Information
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