Chemical ID: 6704340

c1ccc2c(c1)cc(c[nH+]2)n3cnnn3
Chemical ID:
6704340
Name [?]:
3-tetrazol-1-yl-1H-quinoline
SMILES [?]:
c1ccc2c(c1)cc(c[nH+]2)n3cnnn3
InChi [?]:
InChI=1/C10H7N5/c1-2-4-10-8(3-1)5-9(6-11-10)15-7-12-13-14-15/h1-7H/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,9,12,5,8,4,10,13,14,15,11/rA:15nCCCCCCCCCN+NCNNN/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s8;s11;d12;s13;s11d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H8N5+
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:-26.5517
Area:358.816
Solvation:-35.5221
Coulombic:6.1919
Bond Count [?]
All:17
Single:10
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:198.204
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:0.69
LogP (Chemaxon):1.02

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