SMILES:
Cn1cc(-c2cc(S(C)(=O)=O)ccc2OCC2CC2)c2ccccc2c1=OMolecular Processing
Molecular formula
C21H21NO4S
Molecular weight
383.47
Exact mass
383.1191
XLogP
3.4
TPSA
65.37
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
105.95
Supplementary Information
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