SMILES:
O=C(O)c1ccc(N2CC(O)C2)c(OCC2CC2)n1Molecular Processing
Molecular formula
C13H16N2O4
Molecular weight
264.28
Exact mass
264.111
XLogP
0.75
TPSA
82.89
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
19
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
67.64
Supplementary Information
Details werden geladen…
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