Chemical ID: 5784676

c1ccc2c(c1)c3c([nH]2)nc4c(n3)non4
Chemical ID:
5784676
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)nc4c(n3)non4
InChi [?]:
InChI=1/C10H5N5O/c1-2-4-6-5(3-1)7-8(11-6)13-10-9(12-7)14-16-15-10/h1-4H,(H,11,13,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,7,8,12,11,9,13,10,14,16,15/rA:16nCCCCCCCCNNCCNNON/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;d8;s10;s11;d7s12;d12;s14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H5N5O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.7811
Area:355.065
Solvation:-1.09553
Coulombic:-29.6472
Bond Count [?]
All:19
Single:12
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:211.18
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.26
LogP (Chemaxon):2.61

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