Chemical ID: 6494301

Cc1ccc(cc1)n2cnnn2
Chemical ID:
6494301
Name [?]:
1-(p-tolyl)tetrazole
SMILES [?]:
Cc1ccc(cc1)n2cnnn2
InChi [?]:
InChI=1/C8H8N4/c1-7-2-4-8(5-3-7)12-6-9-10-11-12/h2-6H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,9,2,5,10,11,12,8/E:(2,3)(4,5)/rA:12nCCCCCCCNCNNN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s8d11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8N4
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.54838
Area:321.558
Solvation:-1.49057
Coulombic:-4.98167
Bond Count [?]
All:13
Single:8
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:160.176
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.02
LogP (Chemaxon):1.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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