Nombre: 8-chloro-3-(4-fluorobutyl)-7-(2-propen-1-yl)-3,7-dihydro-1H-purine-2,6-dione
SMILES:
C=CCn1c(Cl)nc2c1c(=O)[nH]c(=O)n2CCCCFMolecular Processing
Molecular formula
C12H14ClFN4O2
Molecular weight
300.72
Exact mass
300.0789
XLogP
1.48
TPSA
72.68
H-bond donors
1
H-bond acceptors
3
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
8
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
75.03
Supplementary Information
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