이름: 3-(2-chloro-6-(methylsulfonylmethyl)pyrimidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILES:
CS(=O)(=O)Cc1cc(N2CC3CCC(C2)O3)nc(Cl)n1Molecular Processing
Molecular formula
C12H16ClN3O3S
Molecular weight
317.8
Exact mass
317.0601
XLogP
1.04
TPSA
72.39
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
75.7
Supplementary Information
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