Name: 3-methyl-7-(2-butin-1-yl)-8-bromoxanthine
SMILES:
CC#CCn1c(Br)nc2c1c(=O)[nH]c(=O)n2CMolecular Processing
Molecular formula
C10H9BrN4O2
Molecular weight
297.11
Exact mass
295.9909
XLogP
0.21
TPSA
72.68
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
66.74
Supplementary Information
Details werden geladen…
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