SMILES:
O=C(COCCc1ccc2sccc2c1)N1CCCCC1Molecular Processing
Molecular formula
C17H21NO2S
Molecular weight
303.43
Exact mass
303.1293
XLogP
3.47
TPSA
29.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
86.78
Supplementary Information
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