Name: (RS)-2-(4-fluoro-phenyl)-1-(4-chloromethyl-benzenesulfonyl)-pyrrolidine
SMILES:
O=S(=O)(c1ccc(CCl)cc1)N1CCCC1c1ccc(F)cc1Molecular Processing
Molecular formula
C17H17ClFNO2S
Molecular weight
353.85
Exact mass
353.0653
XLogP
4.09
TPSA
37.38
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
88.27
Supplementary Information
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