SMILES:
Cc1c(OCc2cccnc2SC2CCCC2)ccc2c(CC(=O)O)coc12Molecular Processing
Molecular formula
C22H23NO4S
Molecular weight
397.5
Exact mass
397.1348
XLogP
5.38
TPSA
72.56
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
28
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
0.364
Molar refractivity
108.97
Supplementary Information
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