SMILES:
N#CCC1CC(CC=O)OC2(CCCCC2)O1Molecular Processing
Molecular formula
C13H19NO3
Molecular weight
237.3
Exact mass
237.1365
XLogP
2.32
TPSA
59.32
H-bond donors
0
H-bond acceptors
4
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
4
Covalent units
1
Fraction Csp3
0.846
Molar refractivity
61.09
Supplementary Information
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