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Chemical ID: 5141610
Chemical ID:
5141610
Name [?]:
4-chloro-6-methyl-2-(trifluoromethyl)quinoline
SMILES [?]:
Cc1ccc2c(c1)c(cc(n2)C(F)(F)F)Cl
InChi [?]:
InChI=1/C11H7ClF3N/c1-6-2-3-9-7(4-6)8(12)5-10(16-9)11(13,14)15/h2-5H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,4,7,9,2,6,8,5,10,12,16,13,14,15,11/E:(13,14,15)/rA:16nCCCCCCCCCCNCFFFCl/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s10;s12;s12;s12;s8;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H7ClF3N |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.8083 |
Area: | 372.818 |
Solvation: | -1.51215 |
Coulombic: | -26.2926 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 245.628 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.2 |
LogP (Chemaxon): | 4.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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