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Chemical ID: 6501636
Chemical ID:
6501636
Name [?]:
3,7-dihydropurine-2,6-dione
SMILES [?]:
c1[nH]c2c(n1)[nH]c(=O)[nH]c2=O
InChi [?]:
InChI=1/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
InChi Info:
AuxInfo=1/1/N:1,3,4,10,7,2,5,6,9,11,8/rA:11nCNCCNNCONCO/rB:s1;s2;d3;d1s4;s4;s6;d7;s7;s3s9;d10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C5H4N4O2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.87556 |
Area: | 283.835 |
Solvation: | -2.22032 |
Coulombic: | -58.5624 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 152.111 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | -1.08 |
LogP (Chemaxon): | -0.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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