이름: (+)-3-(3-chloro-4-fluorophenyl)-3-methoxypyrrolidine
SMILES:
COC1(c2ccc(F)c(Cl)c2)CCNC1Molecular Processing
Molecular formula
C11H13ClFNO
Molecular weight
229.68
Exact mass
229.067
XLogP
2.31
TPSA
21.26
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
57.58
Supplementary Information
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