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Chemical ID: 5257359
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
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Experimental Annotations
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Descriptor Annotations
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