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Chemical ID: 7232818
Chemical ID:
7232818
Name [?]:
7,9-dihydropurine-2,6,8-trione
SMILES [?]:
c12c([nH]c(=O)[nH]1)[n-]c(=O)[nH]c2=O
InChi [?]:
InChI=1/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)/p-1
InChi Info:
AuxInfo=1/5/N:1,2,11,4,8,6,3,7,10,12,5,9/rA:12nCCNCONN-CONCO/rB:d1;s2;s3;d4;s1s4;s2;s7;d8;s8;s1s10;d11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C5H3N4O3- |
All Atoms: | 15 |
Heavy Atoms: | 12 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -23.9135 |
Area: | 300.081 |
Solvation: | -31.4155 |
Coulombic: | -44.647 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 0 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | -2.16 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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