SMILES:
CCCc1nc(C(C)(C)O)c(C(=O)OCC)[nH]1Molecular Processing
Molecular formula
C12H20N2O3
Molecular weight
240.3
Exact mass
240.1474
XLogP
1.77
TPSA
75.21
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
63.78
Supplementary Information
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