SMILES:
COC(=O)C=Cc1ccc(-c2ccc(C(C)(C)C)cc2)s1Molecular Processing
Molecular formula
C18H20O2S
Molecular weight
300.42
Exact mass
300.1184
XLogP
4.9
TPSA
26.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
89.51
Supplementary Information
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