SMILES:
CCC1CC1(C(=O)OCCN(C)C)c1ccccc1Molecular Processing
Molecular formula
C16H23NO2
Molecular weight
261.37
Exact mass
261.1729
XLogP
2.46
TPSA
29.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
76.03
Supplementary Information
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