SMILES:
C=CCC1CC(CC#N)OC2(CCCCC2)O1Molecular Processing
Molecular formula
C14H21NO2
Molecular weight
235.33
Exact mass
235.1572
XLogP
3.31
TPSA
42.25
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.786
Molar refractivity
65.22
Supplementary Information
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