SMILES:
COc1ccc2cc(C(P(=O)(O)O)P(O)(O)=S)ccc2c1Molecular Processing
Molecular formula
C12H14O6P2S
Molecular weight
348.25
Exact mass
347.9986
XLogP
2.32
TPSA
107.22
H-bond donors
4
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
84.01
Supplementary Information
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