N[C@@](CF)(C[C@H](O)C(F)(F)F)c1nc(Br)ccc1F
名称: (2S,4S)-4-amino-4-(6-bromo-3-fluoropyridin-2-yl)-1,1,1,5-tetrafluoropentan-2-ol
SMILES: N[C@@](CF)(C[C@H](O)C(F)(F)F)c1nc(Br)ccc1F

Molecular Processing

Molecular formula
C10H10BrF5N2O
Molecular weight
349.1
Exact mass
347.9897
XLogP
2.42
TPSA
59.14
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
60.41

Supplementary Information

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