SMILES:
CCCc1nc(C(C)(C)O)c(C(=O)O)[nH]1Molecular Processing
Molecular formula
C10H16N2O3
Molecular weight
212.25
Exact mass
212.1161
XLogP
1.29
TPSA
86.21
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
15
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
0.6
Molar refractivity
54.79
Supplementary Information
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