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Chemical ID: 7115037
Chemical ID:
7115037
Name [?]:
2,6,7,9-tetrazabicyclo[4.3.0]nona-7,9-diene-3,5-dione
SMILES [?]:
c1nc2n(n1)C(=O)CC(=O)N2
InChi [?]:
InChI=1/C5H4N4O2/c10-3-1-4(11)9-5(8-3)6-2-7-9/h2H,1H2,(H,6,7,8,10)
InChi Info:
AuxInfo=1/1/N:8,1,9,6,3,2,5,11,4,10,7/rA:11nCNCNNCOCCON/rB:s1;d2;s3;d1s4;s4;d6;s6;s8;d9;s3s9;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C5H4N4O2 |
All Atoms: | 15 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.00032 |
Area: | 286.897 |
Solvation: | -3.17209 |
Coulombic: | -37.6359 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 152.111 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | -1.47 |
LogP (Chemaxon): | -0.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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