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Chemical ID: 5988116
Chemical ID:
5988116
Name [?]:
(4-chlorophenyl)-[4-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
Cc1cccc(c1)c2nc(on2)C3CCN(CC3)C(=O)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C21H20ClN3O2/c1-14-3-2-4-17(13-14)19-23-20(27-24-19)15-9-11-25(12-10-15)21(26)16-5-7-18(22)8-6-16/h2-8,13,15H,9-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,5,22,26,23,25,14,18,15,17,7,2,13,21,6,24,8,10,19,27,9,12,16,20,11/E:(5,6)(7,8)(9,10)(11,12)/rA:27nCCCCCCCCNCONCCCNCCCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s16;d19;s19;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20ClN3O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.4952 |
Area: | 604.751 |
Solvation: | -2.62359 |
Coulombic: | -31.5353 |
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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