Chemical ID: 4771692

Cc1ccc(cc1)c2nnnn2c3ccccc3C(F)(F)F
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

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Descriptor Annotations

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