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Chemical ID: 5988372
Chemical ID:
5988372
Name [?]:
2-(4-chlorophenoxy)-1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-ethanone
SMILES [?]:
c1cc(cc(c1)Cl)c2nc(on2)C3CCCCN3C(=O)COc4ccc(cc4)Cl
InChi [?]:
InChI=1/C21H19Cl2N3O3/c22-15-7-9-17(10-8-15)28-13-19(27)26-11-2-1-6-18(26)21-24-20(25-29-21)14-4-3-5-16(23)12-14/h3-5,7-10,12,18H,1-2,6,11,13H2
InChi Info:
AuxInfo=1/0/N:15,16,1,2,6,14,25,27,24,28,17,4,21,3,26,5,23,13,19,8,10,29,7,9,12,18,20,22,11/E:(7,8)(9,10)/rA:29cCCCCCCClCNCONCCCCCNCOCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s18;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H19Cl2N3O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.1195 |
Area: | 647.089 |
Solvation: | -5.05771 |
Coulombic: | -37.5306 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 432.299 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.31 |
LogP (Chemaxon): | 4.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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