名称: product
SMILES:
CC(=O)c1ccc(SC2CCOCC2)c(Cl)c1Molecular Processing
Molecular formula
C13H15ClO2S
Molecular weight
270.78
Exact mass
270.0481
XLogP
3.81
TPSA
26.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
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
0.462
Molar refractivity
71.15
Supplementary Information
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