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Chemical ID: 4419088
Chemical ID:
4419088
Name [?]:
5-imidazol-1-yl-1-phenyl-tetrazole
SMILES [?]:
c1ccc(cc1)n2c(nnn2)n3ccnc3
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
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,14,13,16,4,8,15,9,10,11,12,7/E:(2,3)(4,5)/rA:16nCCCCCCNCNNNNCCNC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s7d10;s8;s12;d13;s14;s12d15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H8N6 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.55401 |
Area: | 367.988 |
Solvation: | -1.64569 |
Coulombic: | -18.4154 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 212.211 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 0.88 |
LogP (Chemaxon): | 1.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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