SMILES:
COc1c(N2CCCCC2=O)cc(F)cc1S(=O)(=O)ClMolecular Processing
Molecular formula
C12H13ClFNO4S
Molecular weight
321.76
Exact mass
321.0238
XLogP
2.28
TPSA
63.68
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
72.19
Supplementary Information
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