Name: 1-allyl-3-butyl-8-methyl xanthine
SMILES:
C=CCn1c(=O)c2[nH]c(C)nc2n(CCCC)c1=OMolecular Processing
Molecular formula
C13H18N4O2
Molecular weight
262.31
Exact mass
262.143
XLogP
1.18
TPSA
72.68
H-bond donors
1
H-bond acceptors
3
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
6
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
74.46
Supplementary Information
Details werden geladen…
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