SMILES:
CCSC1=CCC(C)(C)c2ccc(C#Cc3ccc(C(=O)O)cc3)cc21Molecular Processing
Molecular formula
C23H22O2S
Molecular weight
362.49
Exact mass
362.1341
XLogP
5.56
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.261
Molar refractivity
109.58
Supplementary Information
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