Chemical ID: 6501636

c1[nH]c2c(n1)[nH]c(=O)[nH]c2=O
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue