Chemical ID: 6914109

c12c([nH]c(=O)[nH]c1=O)[nH]nn2
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

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