이름: (3S)-3-[(2-chloro-5-fluoro-pyrimidin-4-yl)amino]cyclohexanone
SMILES:
O=C1CCC[C@H](Nc2nc(Cl)ncc2F)C1Molecular Processing
Molecular formula
C10H11ClFN3O
Molecular weight
243.67
Exact mass
243.0575
XLogP
2.19
TPSA
54.88
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
57.89
Supplementary Information
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