SMILES:
CCCc1c(OCCCSc2nc3ccc(C(=O)O)cc3[nH]2)ccc(C(C)=O)c1OC(C)=OMolecular Processing
Molecular formula
C24H26N2O6S
Molecular weight
470.55
Exact mass
470.1512
XLogP
4.9
TPSA
118.58
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
33
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
125.64
Supplementary Information
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