SMILES:
O=C1OCC(c2ccc(Cl)cc2)C1CSCc1ccccc1Molecular Processing
Molecular formula
C18H17ClO2S
Molecular weight
332.85
Exact mass
332.0638
XLogP
4.53
TPSA
26.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
91.25
Supplementary Information
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