SMILES:
CCCCC(CC)COC(=O)CC#NMolecular Processing
Molecular formula
C11H19NO2
Molecular weight
197.28
Exact mass
197.1416
XLogP
2.66
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
14
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.818
Molar refractivity
54.5
Supplementary Information
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