Chemical ID: 7220146

Cc1c(c(nn1C)c2nnc(o2)c3cccc(c3)C(F)(F)F)Br
Chemical ID:
7220146
Name [?]:
2-(4-bromo-1,5-dimethyl-pyrazol-3-yl)-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILES [?]:
Cc1c(c(nn1C)c2nnc(o2)c3cccc(c3)C(F)(F)F)Br
InChi [?]:
InChI=1/C14H10BrF3N4O/c1-7-10(15)11(21-22(7)2)13-20-19-12(23-13)8-4-3-5-9(6-8)14(16,17)18/h3-6H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,15,14,16,18,2,13,17,3,4,11,8,19,23,20,21,22,10,9,5,6,12/E:(16,17,18)/rA:23nCCCCNNCCNNCOCCCCCCCFFFBr/rB:s1;d2;s3;d4;s2s5;s6;s4;d8;s9;d10;s8s11;s11;s13;d14;s15;d16;d13s17;s17;s19;s19;s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10BrF3N4O
All Atoms:33
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.92938
Area:501.05
Solvation:-2.59688
Coulombic:-38.6828
Bond Count [?]
All:25
Single:18
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:387.155
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:5.21
LogP (Chemaxon):3.56

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