이름: 1-(2,2-difluoroethyl)-3-(3,5-difluorophenyl)-3-methoxypyrrolidine hydrochloride
SMILES:
COC1(c2cc(F)cc(F)c2)CCN(CC(F)F)C1.ClMolecular Processing
Molecular formula
C13H16ClF4NO
Molecular weight
313.72
Exact mass
313.0857
XLogP
3.2
TPSA
12.47
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.538
Molar refractivity
69.35
Supplementary Information
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