Name: (2RS,5RS)-2-(2-chloro-ethyl)-5-(4-fluoro-phenyl)-1-(toluene-4-sulfonyl)-pyrrolidine
SMILES:
Cc1ccc(S(=O)(=O)N2C(CCCl)CCC2c2ccc(F)cc2)cc1Molecular Processing
Molecular formula
C19H21ClFNO2S
Molecular weight
381.9
Exact mass
381.0966
XLogP
4.66
TPSA
37.38
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
97.7
Supplementary Information
Details werden geladen…
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