名称: 3-(cyanopentyl)-7-methylxanthine
SMILES:
Cn1cnc2c1c(=O)[nH]c(=O)n2CCCCCC#NMolecular Processing
Molecular formula
C12H15N5O2
Molecular weight
261.28
Exact mass
261.1226
XLogP
0.51
TPSA
96.47
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
19
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
0.5
Molar refractivity
69.68
Supplementary Information
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