Chemical ID: 7242341

c1[nH]c2c(=O)[nH]cnc2[nH+]1
Chemical ID:
7242341
Name [?]:
7,9-dihydro-1H-purin-6-one
SMILES [?]:
c1[nH]c2c(=O)[nH]cnc2[nH+]1
InChi [?]:
InChI=1/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)/p+1
InChi Info:
AuxInfo=1/1/N:1,7,3,9,4,2,10,8,6,5/rA:10nCNCCONCNCN+/rB:s1;s2;s3;d4;s4;s6;d7;d3s8;d1s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H5N4O+
All Atoms:15
Heavy Atoms:10
Chiral Atoms:None
ZAP Information [?]
Total:-29.5149
Area:268.494
Solvation:-36.2272
Coulombic:-26.2035
Bond Count [?]
All:11
Single:7
Double:4
Rotors:0
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:-0.74
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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