SMILES:
O=C1c2c(O)cccc2C(SCCO)c2cccc(O)c21Molecular Processing
Molecular formula
C16H14O4S
Molecular weight
302.35
Exact mass
302.0613
XLogP
2.46
TPSA
77.76
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
21
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
0.188
Molar refractivity
81.03
Supplementary Information
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