SMILES:
CC1(C)Sc2cc(Cl)ccc2OC1=OMolecular Processing
Molecular formula
C10H9ClO2S
Molecular weight
228.7
Exact mass
228.0012
XLogP
3.13
TPSA
26.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
57.02
Supplementary Information
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