SMILES:
CCNc1ccc(OCC(=O)OCC)cc1Molecular Processing
Molecular formula
C12H17NO3
Molecular weight
223.27
Exact mass
223.1208
XLogP
2.06
TPSA
47.56
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
62.73
Supplementary Information
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