Chemical ID: 6838478

c1[nH]c2c([nH+]1)[nH]c(=O)[nH]c2=O
Chemical ID:
6838478
Name [?]:
7,9-dihydro-3H-purine-2,6-dione
SMILES [?]:
c1[nH]c2c([nH+]1)[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)/p+1
InChi Info:
AuxInfo=1/1/N:1,3,4,10,7,2,5,6,9,11,8/rA:11nCNCCN+NCONCO/rB:s1;s2;d3;d1s4;s4;s6;d7;s7;s3s9;d10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H5N4O2+
All Atoms:16
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:-32.0953
Area:283.835
Solvation:-39.1912
Coulombic:-38.1628
Bond Count [?]
All:12
Single:8
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:153.119
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:-0.64
LogP (Chemaxon):-0.33

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Descriptor Annotations

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