SMILES:
CCCC(CCC)=C(C#N)C(=O)OCCMolecular Processing
Molecular formula
C12H19NO2
Molecular weight
209.29
Exact mass
209.1416
XLogP
2.97
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
15
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
59.09
Supplementary Information
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