SMILES:
CC(C)C(C(=O)O)c1cc2cc(Cl)ccc2s1Molecular Processing
Molecular formula
C13H13ClO2S
Molecular weight
268.76
Exact mass
268.0325
XLogP
4.38
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
72.05
Supplementary Information
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