O[C@@H]1[C@H](O)CCC[C@@H]1Nc1nc(Cl)ncc1F
Nom: (1R,2S,3S)-3-(2-chloro-5-fluoropyrimidin-4-ylamino)cyclohexane-1,2-diol
SMILES: O[C@@H]1[C@H](O)CCC[C@@H]1Nc1nc(Cl)ncc1F

Molecular Processing

Molecular formula
C10H13ClFN3O2
Molecular weight
261.68
Exact mass
261.068
XLogP
0.96
TPSA
78.27
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
60.28

Supplementary Information

Récupération des détails…

Impliqué dans 4 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→