SMILES:
COc1ccc(C2CSc3cc(OC)ccc3C2(O)c2cccc(C3OCCO3)c2)cc1Molecular Processing
Molecular formula
C26H26O5S
Molecular weight
450.56
Exact mass
450.1501
XLogP
4.87
TPSA
57.15
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
32
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
123.54
Supplementary Information
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Involved in 2 reactions→