SMILES:
CCC(C)Nc1cc(C(=O)OC)cc(C(C)=O)n1Molecular Processing
Molecular formula
C13H18N2O3
Molecular weight
250.3
Exact mass
250.1317
XLogP
2.28
TPSA
68.29
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
68.96
Supplementary Information
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