Chemical ID: 5789166

Cn1cnc2c1c(nc(=O)n2C)[O-]
Chemical ID:
5789166
Name [?]:
3,7-dimethyl-2-oxo-purin-6-olate
SMILES [?]:
Cn1cnc2c1c(nc(=O)n2C)[O-]
InChi [?]:
InChI=1/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)/p-1
InChi Info:
AuxInfo=1/1/N:1,12,3,6,5,7,9,4,8,2,11,13,10/rA:13nCNCNCCCNCONCO-/rB:s1;s2;d3;s4;s2d5;s6;d7;s8;d9;s5s9;s11;s7;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H7N4O2-
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:-33.8764
Area:319.955
Solvation:-41.8753
Coulombic:-23.0031
Bond Count [?]
All:14
Single:10
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:179.156
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:-0.66
LogP (Chemaxon):1.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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