SMILES:
C=C(C#N)CN1CCC(C(=O)OCC)CC1Molecular Processing
Molecular formula
C12H18N2O2
Molecular weight
222.29
Exact mass
222.1368
XLogP
1.34
TPSA
53.33
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
16
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
60.55
Supplementary Information
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