SMILES:
N#CCC(O)c1cccc(OCC2CC3CCC2C3)c1Molecular Processing
Molecular formula
C17H21NO2
Molecular weight
271.36
Exact mass
271.1572
XLogP
3.45
TPSA
53.25
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
76.06
Supplementary Information
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