COc1ccc(COC(C(=O)O)C(C)(C)COS(=O)(=O)CCCCl)cc1
SMILES: COc1ccc(COC(C(=O)O)C(C)(C)COS(=O)(=O)CCCCl)cc1

Molecular Processing

Molecular formula
C17H25ClO7S
Molecular weight
408.9
Exact mass
408.101
XLogP
2.67
TPSA
99.13
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
12
Heavy atoms
26
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
98.06

Supplementary Information

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