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Chemical ID: 5988331
Chemical ID:
5988331
Name [?]:
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-cyclohexyl-methanone
SMILES [?]:
c1cc(cc(c1)Cl)c2nc(on2)C3CCCN(C3)C(=O)C4CCCCC4
InChi [?]:
InChI=1/C20H24ClN3O2/c21-17-10-4-8-15(12-17)18-22-19(26-23-18)16-9-5-11-24(13-16)20(25)14-6-2-1-3-7-14/h4,8,10,12,14,16H,1-3,5-7,9,11,13H2
InChi Info:
AuxInfo=1/0/N:24,23,25,1,15,22,26,2,14,6,16,4,18,21,3,13,5,8,10,19,7,9,12,17,20,11/E:(2,3)(6,7)/rA:26cCCCCCCClCNCONCCCCNCCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s17;d19;s19;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24ClN3O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.4589 |
Area: | 594.176 |
Solvation: | -2.39553 |
Coulombic: | -29.9045 |
Bond Count [?]
All: | 29 |
Single: | 23 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 373.876 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.77 |
LogP (Chemaxon): | 4.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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