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Chemical ID: 6704340
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
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Experimental Annotations
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Descriptor Annotations
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