SMILES:
O=C(Nc1ccc(SCCCCCCCCCCCCC(Cl)(Cl)C(=O)O)cc1)c1ccc(Cl)cc1Molecular Processing
Molecular formula
C27H34Cl3NO3S
Molecular weight
559
Exact mass
557.1325
XLogP
9.23
TPSA
66.4
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
17
Heavy atoms
35
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.481
Molar refractivity
149.43
Supplementary Information
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