SMILES:
COc1ccc(CC2(O)CCNCC2)cc1Molecular Processing
Molecular formula
C13H19NO2
Molecular weight
221.3
Exact mass
221.1416
XLogP
1.35
TPSA
41.49
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
63.75
Supplementary Information
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