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Chemical ID: 6914109
Chemical ID:
6914109
Name [?]:
3,5,7,8,9-pentazabicyclo[4.3.0]nona-8,10-diene-2,4-dione
SMILES [?]:
c12c([nH]c(=O)[nH]c1=O)[nH]nn2
InChi [?]:
InChI=1/C4H3N5O2/c10-3-1-2(8-9-7-1)5-4(11)6-3/h(H3,5,6,7,8,9,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,7,4,3,6,11,9,10,8,5/rA:11nCCNCONCONNN/rB:d1;s2;s3;d4;s4;s1s6;d7;s2;s9;s1d10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C4H3N5O2 |
All Atoms: | 14 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.39153 |
Area: | 283.711 |
Solvation: | -2.70126 |
Coulombic: | -50.6367 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 153.099 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | -0.94 |
LogP (Chemaxon): | -0.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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