Name: 2-chloro-N4-(3-chloro-4-methoxyphenyl)-5-fluoro-4-pyrimidineamine
SMILES:
COc1ccc(Nc2nc(Cl)ncc2F)cc1ClMolecular Processing
Molecular formula
C11H8Cl2FN3O
Molecular weight
288.11
Exact mass
287.0028
XLogP
3.67
TPSA
47.04
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
68.29
Supplementary Information
Details werden geladen…
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