SMILES:
O=Cc1cc(-c2scc3c2OCCO3)ccc1OMolecular Processing
Molecular formula
C13H10O4S
Molecular weight
262.29
Exact mass
262.03
XLogP
2.7
TPSA
55.76
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
67.8
Supplementary Information
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