Name: racemic methyl-3-[(2-chloro-5-fluoro-pyrimidin-4-yl)amino]-2-hydroxy-1-methyl-cyclohexanecarboxylate
SMILES:
COC(=O)C1(C)CCCC(Nc2nc(Cl)ncc2F)C1OMolecular Processing
Molecular formula
C13H17ClFN3O3
Molecular weight
317.75
Exact mass
317.0942
XLogP
1.77
TPSA
84.34
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
74.39
Supplementary Information
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