SMILES:
CCN(CC)CCOc1ccc(C=O)cc1Molecular Processing
Molecular formula
C13H19NO2
Molecular weight
221.3
Exact mass
221.1416
XLogP
2.22
TPSA
29.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
65.11
Supplementary Information
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