이름: 3-Pentyl-7-(2-propen-1-yl)-3,7-dihydro-1H-purine-2,6-dione
SMILES:
C=CCn1cnc2c1c(=O)[nH]c(=O)n2CCCCCMolecular Processing
Molecular formula
C13H18N4O2
Molecular weight
262.31
Exact mass
262.143
XLogP
1.26
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
0.462
Molar refractivity
74.34
Supplementary Information
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