SMILES:
CCCc1nc(C(=O)OCC)c(C(=O)OCC)[nH]1Molecular Processing
Molecular formula
C12H18N2O4
Molecular weight
254.29
Exact mass
254.1267
XLogP
1.72
TPSA
81.28
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.583
Molar refractivity
64.5
Supplementary Information
Details werden geladen…
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