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Chemical ID: 5155700
Chemical ID:
5155700
Name [?]:
2-methyl-5-(1H-tetrazol-5-yl)tetrazole
SMILES [?]:
Cn1nc(nn1)c2[nH]nnn2
InChi [?]:
InChI=1/C3H4N8/c1-11-7-3(6-10-11)2-4-8-9-5-2/h1H3,(H,4,5,8,9)
InChi Info:
AuxInfo=1/1/N:1,7,4,8,11,5,3,9,10,6,2/E:(4,5)(8,9)/rA:11nCNNCNNCNNNN/rB:s1;s2;d3;s4;s2d5;s4;s7;s8;d9;d7s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C3H4N8 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.88889 |
Area: | 300.522 |
Solvation: | -1.62417 |
Coulombic: | -14.2808 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 152.118 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | -0.58 |
LogP (Chemaxon): | -0.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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