Name: 9-(4-methoxybenzyl)-6-(2-fluoropyridin-3-yl)-9H-purine
SMILES:
COc1ccc(Cn2cnc3c(-c4cccnc4F)ncnc32)cc1Molecular Processing
Molecular formula
C18H14FN5O
Molecular weight
335.34
Exact mass
335.1182
XLogP
3.08
TPSA
65.72
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
25
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
90.61
Supplementary Information
Details werden geladen…
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