Nom: 7-benzyl-3-ethyl-xanthine
SMILES:
CCn1c(=O)[nH]c(=O)c2c1ncn2Cc1ccccc1Molecular Processing
Molecular formula
C14H14N4O2
Molecular weight
270.29
Exact mass
270.1117
XLogP
0.95
TPSA
72.68
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
20
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
75.83
Supplementary Information
Récupération des détails…
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