名称: compound 11
SMILES:
CC(=O)OC(C)c1cc2c(s1)C(=O)c1ccsc1C2=OMolecular Processing
Molecular formula
C14H10O4S2
Molecular weight
306.36
Exact mass
306.0021
XLogP
3.21
TPSA
60.44
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
75.68
Supplementary Information
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