Chemical ID: 5073656

Cn1c2c([nH]c(=O)c1=O)n(c(=O)[nH]c2=O)C
Chemical ID:
5073656
Name [?]:
1,5-dimethyl-8H-pteridine-2,4,6,7-tetrone
SMILES [?]:
Cn1c2c([nH]c(=O)c1=O)n(c(=O)[nH]c2=O)C
InChi [?]:
InChI=1/C8H8N4O4/c1-11-3-4(9-6(14)7(11)15)12(2)8(16)10-5(3)13/h1-2H3,(H,9,14)(H,10,13,16)
InChi Info:
AuxInfo=1/1/N:1,16,3,4,14,6,8,11,5,13,2,10,15,7,9,12/rA:16nCNCCNCOCONCONCOC/rB:s1;s2;d3;s4;s5;d6;s2s6;d8;s4;s10;d11;s11;s3s13;d14;s10;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8N4O4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:5.68757
Area:357.569
Solvation:-3.25165
Coulombic:-77.8792
Bond Count [?]
All:17
Single:12
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:224.174
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:-1.79
LogP (Chemaxon):-0.78

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue