SMILES:
O=C(NCCCO)c1cc2c(cc1O)OCO2Molecular Processing
Molecular formula
C11H13NO5
Molecular weight
239.23
Exact mass
239.0794
XLogP
0.23
TPSA
88.02
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
58.27
Supplementary Information
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