SMILES:
CNCCOCC(O)c1ccc2sccc2c1.ClMolecular Processing
Molecular formula
C13H18ClNO2S
Molecular weight
287.81
Exact mass
287.0747
XLogP
2.59
TPSA
41.49
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.385
Molar refractivity
78.78
Supplementary Information
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