SMILES:
COc1cc(OC)c(-c2cc3ccccc3s2)cc1/C=C/C(=O)c1ccc(SCC(=O)O)cc1Molecular Processing
Molecular formula
C27H22O5S2
Molecular weight
490.6
Exact mass
490.0909
XLogP
6.66
TPSA
72.83
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
34
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
138.53
Supplementary Information
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Involved in 1 reactions→