N#CC1(c2cccs2)CCC2(CC1)OCCO2
SMILES: N#CC1(c2cccs2)CCC2(CC1)OCCO2

Molecular Processing

Molecular formula
C13H15NO2S
Molecular weight
249.33
Exact mass
249.0823
XLogP
2.83
TPSA
42.25
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
17
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
0.615
Molar refractivity
64.71

Supplementary Information

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