COC(=O)c1cc(NS(=O)(=O)c2ccc(OC)cc2)c(Oc2cc(OC)ccc2Cl)c(OCCOC2CCCCO2)c1
SMILES: COC(=O)c1cc(NS(=O)(=O)c2ccc(OC)cc2)c(Oc2cc(OC)ccc2Cl)c(OCCOC2CCCCO2)c1

Molecular Processing

Molecular formula
C29H32ClNO10S
Molecular weight
622.09
Exact mass
621.1435
XLogP
5.66
TPSA
127.85
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
13
Heavy atoms
42
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.345
Molar refractivity
154.7

Supplementary Information

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