SMILES:
CNC(=O)Cc1ccc(OC)cc1OCC1CO1Molecular Processing
Molecular formula
C13H17NO4
Molecular weight
251.28
Exact mass
251.1158
XLogP
0.76
TPSA
60.09
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
18
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
0.462
Molar refractivity
66
Supplementary Information
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