Name: II
SMILES:
OCCN(CCO)c1cccc2c1OCCO2Molecular Processing
Molecular formula
C12H17NO4
Molecular weight
239.27
Exact mass
239.1158
XLogP
0.25
TPSA
62.16
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
63.82
Supplementary Information
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