COc1c(N2CCOCC2)cc(C(C)=O)cc1C(C)(C)C
SMILES: COc1c(N2CCOCC2)cc(C(C)=O)cc1C(C)(C)C

Molecular Processing

Molecular formula
C17H25NO3
Molecular weight
291.39
Exact mass
291.1834
XLogP
3.03
TPSA
38.77
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
84.73

Supplementary Information

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