Chemical ID: 4771689

Cc1ccc(cc1)n2c(nnn2)c3ccccc3C(F)(F)F
Chemical ID:
4771689
Name [?]:
1-(p-tolyl)-5-[2-(trifluoromethyl)phenyl]-tetrazole
SMILES [?]:
Cc1ccc(cc1)n2c(nnn2)c3ccccc3C(F)(F)F
InChi [?]:
InChI=1/C15H11F3N4/c1-10-6-8-11(9-7-10)22-14(19-20-21-22)12-4-2-3-5-13(12)15(16,17)18/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,15,16,14,17,3,7,4,6,2,5,13,18,9,19,20,21,22,10,11,12,8/E:(6,7)(8,9)(16,17,18)/rA:22nCCCCCCCNCNNNCCCCCCCFFF/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s8d11;s9;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:8.96857
Area:442.263
Solvation:-2.08801
Coulombic:-25.9315
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.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue