SMILES:
Cc1ccc(COc2ccc(CCC(=O)O)cc2Cl)c(SC2CCCC2)n1Molecular Processing
Molecular formula
C21H24ClNO3S
Molecular weight
405.95
Exact mass
405.1165
XLogP
5.67
TPSA
59.42
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
108.83
Supplementary Information
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