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Chemical ID: 6694304
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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