Chemical ID: 4961815

c12c([nH]c(=O)[nH]1)nc(nc2O)N
Chemical ID:
4961815
Name [?]:
2-amino-6-hydroxy-7,9-dihydropurin-8-one
SMILES [?]:
c12c([nH]c(=O)[nH]1)nc(nc2O)N
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:1,2,10,8,4,12,6,7,3,9,11,5/rA:12nCCNCONNCNCON/rB:s1;s2;s3;d4;s1s4;d2;s7;d8;d1s9;s10;s8;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H5N5O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.18065
Area:306.204
Solvation:-2.47446
Coulombic:-77.7017
Bond Count [?]
All:13
Single:9
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:167.126
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:-0.87
LogP (Chemaxon):0.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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