Chemical ID: 6645002

c1[nH]c2c(n1)c(nc(n2)O)O
Chemical ID:
6645002
Name [?]:
9H-purine-2,6-diol
SMILES [?]:
c1[nH]c2c(n1)c(nc(n2)O)O
InChi [?]:
InChI=1/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
InChi Info:
AuxInfo=1/1/N:1,4,3,6,8,5,2,9,7,11,10/rA:11nCNCCNCNCNOO/rB:s1;s2;s3;d1s4;d4;s6;d7;d3s8;s8;s6;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H4N4O2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:4.37187
Area:287.744
Solvation:-2.82172
Coulombic:-61.8206
Bond Count [?]
All:12
Single:8
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:152.111
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:0.4
LogP (Chemaxon):0.52

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Descriptor Annotations

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