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Chemical ID: 6045377
Chemical ID:
6045377
Name [?]:
2-amino-7,9-dihydro-3H-purine-6,8-dione
SMILES [?]:
c12c([nH]c(nc1=O)N)[nH]c(=O)[nH]2
InChi [?]:
InChI=1/C5H5N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,4,10,8,12,3,9,5,7,11/rA:12nCCNCNCONNCON/rB:d1;s2;s3;d4;s1s5;d6;s4;s2;s9;d10;s1s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C5H5N5O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.20488 |
Area: | 304.509 |
Solvation: | -2.40784 |
Coulombic: | -76.0097 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 167.126 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | -1.09 |
LogP (Chemaxon): | 0.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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