Chemical ID: 4774502

Cc1ccc(cc1)n2c(nnn2)c3cn[nH]c3c4ccccc4F
Chemical ID:
4774502
Name [?]:
5-[3-(2-fluorophenyl)-2H-pyrazol-4-yl]-1-(p-tolyl)tetrazole
SMILES [?]:
Cc1ccc(cc1)n2c(nnn2)c3cn[nH]c3c4ccccc4F
InChi [?]:
InChI=1/C17H13FN6/c1-11-6-8-12(9-7-11)24-17(21-22-23-24)14-10-19-20-16(14)13-4-2-3-5-15(13)18/h2-10H,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,20,21,19,22,3,7,4,6,14,2,5,18,13,23,17,9,24,15,16,10,11,12,8/E:(6,7)(8,9)/rA:24nCCCCCCCNCNNNCCNNCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s8d11;s9;s13;d14;s15;d13s16;s17;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13FN6
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.59774
Area:490.327
Solvation:-2.66044
Coulombic:-20.409
Bond Count [?]
All:27
Single:17
Double:10
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:320.324
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.77
LogP (Chemaxon):3.6

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