SMILES:
CNc1ccc(C2(CC(=O)OC(C)(C)C)CCCC2)cc1Molecular Processing
Molecular formula
C18H27NO2
Molecular weight
289.42
Exact mass
289.2042
XLogP
4.27
TPSA
38.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
21
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
0.611
Molar refractivity
86.6
Supplementary Information
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