ChemDB: Chemical Search
Download
Chemical ID: 4771692
Chemical ID:
4771692
Name [?]:
5-(p-tolyl)-1-[2-(trifluoromethyl)phenyl]-tetrazole
SMILES [?]:
Cc1ccc(cc1)c2nnnn2c3ccccc3C(F)(F)F
InChi [?]:
InChI=1/C15H11F3N4/c1-10-6-8-11(9-7-10)14-19-20-21-22(14)13-5-3-2-4-12(13)15(16,17)18/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,14,3,7,4,6,2,5,18,13,8,19,20,21,22,9,10,11,12/E:(6,7)(8,9)(16,17,18)/rA:22nCCCCCCCCNNNNCCCCCCCFFF/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s8s11;s12;s13;d14;s15;d16;d13s17;s18;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11F3N4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.92087 |
Area: | 440.505 |
Solvation: | -2.09176 |
Coulombic: | -26.308 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 304.27 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.9 |
LogP (Chemaxon): | 4.57 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|