Название: compound ( 4a )
SMILES:
COc1cc(Sc2cccc(-c3ccccc3)c2)cc(OC)c1OCMolecular Processing
Molecular formula
C21H20O3S
Molecular weight
352.46
Exact mass
352.1133
XLogP
5.53
TPSA
27.69
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
102.1
Supplementary Information
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