SMILES:
CC(=O)OC1CSC(Oc2cccnc2-c2cc3ccccc3o2)C(OC(C)=O)C1OC(C)=OMolecular Processing
Molecular formula
C24H23NO8S
Molecular weight
485.51
Exact mass
485.1144
XLogP
3.74
TPSA
114.16
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
6
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
122.98
Supplementary Information
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