SMILES:
C#CCCCC12OCC(CCC)(CO1)C(C#N)O2Molecular Processing
Molecular formula
C14H19NO3
Molecular weight
249.31
Exact mass
249.1365
XLogP
2.2
TPSA
51.48
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
18
Rings
3
Aromatic rings
0
Saturated rings
3
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.786
Molar refractivity
65.15
Supplementary Information
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