SMILES:
CC(=O)CCc1ccc2c(c1)COc1ccc(OCc3ccc4cc(F)c(Cl)cc4n3)cc1C2SCCC(=O)OMolecular Processing
Molecular formula
C31H27ClFNO5S
Molecular weight
580.08
Exact mass
579.1282
XLogP
7.32
TPSA
85.72
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
40
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.258
Molar refractivity
153.81
Supplementary Information
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