SMILES:
COC(=O)c1cc(NS(=O)(=O)c2ccc3c(c2)OCO3)c(Oc2cc(OC)ccc2Cl)c(OCCOC2CCCCO2)c1Molecular Processing
Molecular formula
C29H30ClNO11S
Molecular weight
636.08
Exact mass
635.1228
XLogP
5.38
TPSA
137.08
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
12
Heavy atoms
43
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.345
Molar refractivity
154.27
Supplementary Information
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