Chemical ID: 6700624

c1ccc(cc1)n2c(nnn2)[n+]3cc[nH]c3
Chemical ID:
6700624
Name [?]:
5-(3H-imidazol-1-yl)-1-phenyl-tetrazole
SMILES [?]:
c1ccc(cc1)n2c(nnn2)[n+]3cc[nH]c3
InChi [?]:
InChI=1/C10H8N6/c1-2-4-9(5-3-1)16-10(12-13-14-16)15-7-6-11-8-15/h1-8H/p+1
InChi Info:
AuxInfo=1/5/N:1,2,6,3,5,14,13,16,4,8,15,9,10,11,12,7/E:(2,3)(4,5)/rA:16nCCCCCCNCNNNN+CCNC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s7d10;s8;s12;d13;s14;d12s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9N6+
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:-19.5644
Area:367.678
Solvation:-28.7564
Coulombic:0.431506
Bond Count [?]
All:18
Single:11
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:213.219
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.7
LogP (Chemaxon):-1.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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