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Chemical ID: 4527979
Chemical ID:
4527979
Name [?]:
1-(1H-benzoimidazol-2-ylmethyl)tetrazol-5-amine
SMILES [?]:
c1ccc2c(c1)[nH]c(n2)Cn3c(nnn3)N
InChi [?]:
InChI=1/C9H9N7/c10-9-13-14-15-16(9)5-8-11-6-3-1-2-4-7(6)12-8/h1-4H,5H2,(H,11,12)(H2,10,13,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,10,5,4,8,12,16,7,9,13,14,15,11/E:(1,2)(3,4)(6,7)(11,12)/rA:16nCCCCCCNCNCNCNNNN/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s8;s10;s11;d12;s13;s11d14;s12;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H9N7 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.23711 |
Area: | 382.39 |
Solvation: | -2.32264 |
Coulombic: | -38.9902 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 215.215 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | -0.29 |
LogP (Chemaxon): | 0.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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