Name: 3-hydroxy-3-[(1-ethoxyethyl)mercaptomethyl]quinuclidine
SMILES:
CCOC(C)SCC1(O)CN2CCC1CC2Molecular Processing
Molecular formula
C12H23NO2S
Molecular weight
245.39
Exact mass
245.1449
XLogP
1.56
TPSA
32.7
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
16
Rings
3
Aromatic rings
0
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
1
Molar refractivity
67.66
Supplementary Information
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