SMILES:
O=C(OCCN1CCOCC1)C1CC2C=CC1C2Molecular Processing
Molecular formula
C14H21NO3
Molecular weight
251.33
Exact mass
251.1521
XLogP
1.07
TPSA
38.77
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
18
Rings
3
Aromatic rings
0
Saturated rings
2
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.786
Molar refractivity
67.06
Supplementary Information
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