이름: 2-methyl-1-(4-(methylthio)phenyl)propan-1-one
SMILES:
CSc1ccc(C(=O)C(C)C)cc1Molecular Processing
Molecular formula
C11H14OS
Molecular weight
194.3
Exact mass
194.0765
XLogP
3.25
TPSA
17.07
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
57.39
Supplementary Information
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