이름: 2-chloro-N4-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-4-pyrimidineamine
SMILES:
COc1cc(Nc2nc(Cl)ncc2F)c(OC)cc1ClMolecular Processing
Molecular formula
C12H10Cl2FN3O2
Molecular weight
318.13
Exact mass
317.0134
XLogP
3.68
TPSA
56.27
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
74.84
Supplementary Information
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