SMILES:
Oc1ccc(SCCCN2CCOCC2)cc1Molecular Processing
Molecular formula
C13H19NO2S
Molecular weight
253.37
Exact mass
253.1136
XLogP
2.21
TPSA
32.7
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
17
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
0.538
Molar refractivity
70.71
Supplementary Information
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