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Chemical ID: 6499322
Chemical ID:
6499322
Name [?]:
N-(3-phenylprop-2-ynyl)-1H-tetrazol-5-amine
SMILES [?]:
c1ccc(cc1)C#CCNc2[nH]nnn2
InChi [?]:
InChI=1/C10H9N5/c1-2-5-9(6-3-1)7-4-8-11-10-12-14-15-13-10/h1-3,5-6H,8H2,(H2,11,12,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,3,5,7,9,4,11,10,12,15,13,14/E:(2,3)(5,6)(12,13)(14,15)/rA:15nCCCCCCCCCNCNNNN/rB:s1;d2;s3;d4;d1s5;s4;t7;s8;s9;s10;s11;s12;d13;d11s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9N5 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.39739 |
Area: | 406.422 |
Solvation: | -1.76315 |
Coulombic: | -24.1714 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 199.212 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 1.72 |
LogP (Chemaxon): | 1.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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