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Chemical ID: 5988197
Chemical ID:
5988197
Name [?]:
(2-chlorophenyl)-[4-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
Cc1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)c4ccccc4Cl
InChi [?]:
InChI=1/C21H20ClN3O2/c1-14-6-8-15(9-7-14)19-23-20(27-24-19)16-10-12-25(13-11-16)21(26)17-4-2-3-5-18(17)22/h2-9,16H,10-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,24,22,25,3,7,4,6,14,18,15,17,2,5,13,21,26,8,10,19,27,9,12,16,20,11/E:(6,7)(8,9)(10,11)(12,13)/rA:27nCCCCCCCCNCONCCCNCCCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s16;d19;s19;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20ClN3O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0618 |
Area: | 595.597 |
Solvation: | -2.82808 |
Coulombic: | -31.3029 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 381.855 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.01 |
LogP (Chemaxon): | 4.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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