SMILES:
CCOC(=O)c1c(SC2CCCCC2=O)nc2cc(Cl)c(F)cc2c1OMolecular Processing
Molecular formula
C18H17ClFNO4S
Molecular weight
397.86
Exact mass
397.0551
XLogP
4.51
TPSA
76.49
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
97.45
Supplementary Information
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