SMILES:
COC(=O)C1=C(OP(=O)(Oc2ccccc2)Oc2ccccc2)CSC1Molecular Processing
Molecular formula
C18H17O6PS
Molecular weight
392.37
Exact mass
392.0483
XLogP
4.44
TPSA
71.06
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
99.2
Supplementary Information
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