SMILES:
Oc1cc(CCCCOC2CCCCO2)on1Molecular Processing
Molecular formula
C12H19NO4
Molecular weight
241.29
Exact mass
241.1314
XLogP
2.25
TPSA
64.72
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
60.65
Supplementary Information
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