Name: 2-chloro-N4-(4-n-butyloxyphenyl)-5-fluoro-4-pyrimidineamine
SMILES:
CCCCOc1ccc(Nc2nc(Cl)ncc2F)cc1Molecular Processing
Molecular formula
C14H15ClFN3O
Molecular weight
295.75
Exact mass
295.0888
XLogP
4.19
TPSA
47.04
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
77.13
Supplementary Information
Details werden geladen…
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