Chemical ID: 6694304

COc1ccc(cc1)n2c(cc(n2)C(F)(F)F)c3ccc(cc3)Cl
Chemical ID:
6694304
Name [?]:
5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole
SMILES [?]:
COc1ccc(cc1)n2c(cc(n2)C(F)(F)F)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,19,23,20,22,5,7,4,8,11,18,21,6,3,10,12,14,24,15,16,17,13,9,2/E:(2,3)(4,5)(6,7)(8,9)(19,20,21)/rA:24nCOCCCCCCNCCCNCFFFCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;s9d12;s12;s14;s14;s14;s10;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12ClF3N2O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.15985
Area:511.726
Solvation:-3.63331
Coulombic:-33.3584
Bond Count [?]
All:26
Single:18
Double:8
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:352.738
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.5
LogP (Chemaxon):5.0

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