Chemical ID: 4910003

c1c(=O)[nH]c2cnnn2c1O
Chemical ID:
4910003
Name [?]:
5-hydroxy-2,6,7,8-tetrazabicyclo[4.3.0]nona-4,7,9-trien-3-one
SMILES [?]:
c1c(=O)[nH]c2cnnn2c1O
InChi [?]:
InChI=1/C5H4N4O2/c10-4-1-5(11)9-3(7-4)2-6-8-9/h1-2,11H,(H,7,10)
InChi Info:
AuxInfo=1/1/N:1,6,5,2,10,7,4,8,9,3,11/rA:11nCCONCCNNNCO/rB:s1;d2;s2;s4;d5;s6;d7;s5s8;d1s9;s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H4N4O2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:3.33717
Area:286.666
Solvation:-3.82948
Coulombic:-38.0875
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:2
XLogP:-0.67
LogP (Chemaxon):-0.48

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