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Chemical ID: 5988541
Chemical ID:
5988541
Name [?]:
[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-(3,5-dichlorophenyl)-methanone
SMILES [?]:
c1cc(ccc1c2nc(on2)C3CCN(CC3)C(=O)c4cc(cc(c4)Cl)Cl)Cl
InChi [?]:
InChI=1/C20H16Cl3N3O2/c21-15-3-1-12(2-4-15)18-24-19(28-25-18)13-5-7-26(8-6-13)20(27)14-9-16(22)11-17(23)10-14/h1-4,9-11,13H,5-8H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,13,17,14,16,21,25,23,6,12,20,3,22,24,7,9,18,28,27,26,8,11,15,19,10/E:(1,2)(3,4)(5,6)(7,8)(9,10)(16,17)(22,23)/rA:28nCCCCCCCNCONCCCNCCCOCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d7s10;s9;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;d21;s22;d23;d20s24;s24;s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16Cl3N3O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.6472 |
Area: | 654.15 |
Solvation: | -2.70654 |
Coulombic: | -31.2262 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 436.718 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.82 |
LogP (Chemaxon): | 5.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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