SMILES:
CCC(C#N)CCC#CCOC1CCCCO1Molecular Processing
Molecular formula
C14H21NO2
Molecular weight
235.33
Exact mass
235.1572
XLogP
2.86
TPSA
42.25
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
17
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.786
Molar refractivity
65.95
Supplementary Information
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