Chemical ID: 4589787

Cn1c2c(c(=O)[nH]c1=O)n(c(n2)Br)CCCl
Chemical ID:
4589787
Name [?]:
8-bromo-7-(2-chloroethyl)-3-methyl-purine-2,6-dione
SMILES [?]:
Cn1c2c(c(=O)[nH]c1=O)n(c(n2)Br)CCCl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C8H8BrClN4O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.21932
Area:409.382
Solvation:-2.01523
Coulombic:-52.4801
Bond Count [?]
All:17
Single:13
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:307.532
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.94
LogP (Chemaxon):2.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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