SMILES:
CCc1sc(C(C)=O)cc1-c1ccccc1Molecular Processing
Molecular formula
C14H14OS
Molecular weight
230.33
Exact mass
230.0765
XLogP
4.18
TPSA
17.07
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
69.14
Supplementary Information
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