Chemical ID: 5257359

Cc1cc2n(n1)C(=O)CC(=O)C2
Chemical ID:
5257359
Name [?]:
8-methyl-6,7-diazabicyclo[4.3.0]nona-7,9-diene-3,5-dione
SMILES [?]:
Cc1cc2n(n1)C(=O)CC(=O)C2
InChi [?]:
InChI=1/C8H8N2O2/c1-5-2-6-3-7(11)4-8(12)10(6)9-5/h2H,3-4H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,12,9,2,4,10,7,6,5,11,8/rA:12nCCCCNNCOCCOC/rB:s1;s2;d3;s4;d2s5;s5;d7;s7;s9;d10;s4s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8N2O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:3.88362
Area:314.068
Solvation:-3.96807
Coulombic:-16.846
Bond Count [?]
All:13
Single:9
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:164.161
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:-0.51
LogP (Chemaxon):0.04

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