이름: 3,7-dibutylxanthine
SMILES:
CCCCn1cnc2c1c(=O)[nH]c(=O)n2CCCCMolecular Processing
Molecular formula
C13H20N4O2
Molecular weight
264.33
Exact mass
264.1586
XLogP
1.49
TPSA
72.68
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
74.43
Supplementary Information
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