SMILES:
CCc1cn(C2CCC(CO)O2)c(=O)[nH]c1=OMolecular Processing
Molecular formula
C11H16N2O4
Molecular weight
240.26
Exact mass
240.111
XLogP
-0.23
TPSA
84.32
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
60.93
Supplementary Information
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