Nom: 1-(12-Tridecenyl)-3,7-dimethylxanthine
SMILES:
C=CCCCCCCCCCCCn1c(=O)c2c(ncn2C)n(C)c1=OMolecular Processing
Molecular formula
C20H32N4O2
Molecular weight
360.5
Exact mass
360.2525
XLogP
3.52
TPSA
61.82
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
12
Heavy atoms
26
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
0.65
Molar refractivity
106.58
Supplementary Information
Récupération des détails…
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