SMILES:
CC1(C)CCSc2ccc(C(=O)O)cc21Molecular Processing
Molecular formula
C12H14O2S
Molecular weight
222.31
Exact mass
222.0715
XLogP
3.16
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
61.77
Supplementary Information
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