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Chemical ID: 5988148
Chemical ID:
5988148
Name [?]:
(3-chlorophenyl)-[4-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
Cc1cccc(c1)c2nc(on2)C3CCN(CC3)C(=O)c4cccc(c4)Cl
InChi [?]:
InChI=1/C21H20ClN3O2/c1-14-4-2-5-16(12-14)19-23-20(27-24-19)15-8-10-25(11-9-15)21(26)17-6-3-7-18(22)13-17/h2-7,12-13,15H,8-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,23,3,5,22,24,14,18,15,17,7,26,2,13,6,21,25,8,10,19,27,9,12,16,20,11/E:(8,9)(10,11)/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;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20ClN3O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.5146 |
Area: | 605.362 |
Solvation: | -2.61947 |
Coulombic: | -31.4794 |
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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