Chemical ID: 5116845

[cH-]1nc2c(c([n+]1=O)N)nc[nH]2
Chemical ID:
5116845
Name [?]:
1-oxo-9H-purin-6-amine
SMILES [?]:
[cH-]1nc2c(c([n+]1=O)N)nc[nH]2
InChi [?]:
InChI=1/C5H5N5O/c6-4-3-5(8-1-7-3)9-2-10(4)11/h1-2H,6H2,(H,7,8,9)
InChi Info:
AuxInfo=1/1/N:10,1,4,5,3,8,9,11,2,6,7/CRV:10.5/rA:11cC-NCCCN+ONNCN/rB:s1;d2;s3;d4;s1s5;d6;s5;s4;d9;s3s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H5N5O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:-2.13787
Area:290.856
Solvation:-9.40926
Coulombic:-58.4818
Bond Count [?]
All:12
Single:8
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:151.126
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:0.2
LogP (Chemaxon):-2.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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