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Chemical ID: 5116845
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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