SMILES:
NCC1(SCc2ccccc2)CCC2(CC1)OCCO2Molecular Processing
Molecular formula
C16H23NO2S
Molecular weight
293.43
Exact mass
293.1449
XLogP
2.93
TPSA
44.48
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
82.63
Supplementary Information
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