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Chemical ID: 5988400
Chemical ID:
5988400
Name [?]:
(2-chlorophenyl)-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
c1ccc(c(c1)C(=O)N2CCC(CC2)c3nc(no3)c4cccc(c4)Cl)Cl
InChi [?]:
InChI=1/C20H17Cl2N3O2/c21-15-5-3-4-14(12-15)18-23-19(27-24-18)13-8-10-25(11-9-13)20(26)16-6-1-2-7-17(16)22/h1-7,12-13H,8-11H2
InChi Info:
AuxInfo=1/0/N:1,2,22,21,23,6,3,11,13,10,14,25,12,20,24,5,4,17,15,7,26,27,16,18,9,8,19/E:(8,9)(10,11)/rA:27nCCCCCCCONCCCCCCNCNOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s9s13;s12;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17Cl2N3O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3213 |
Area: | 606.946 |
Solvation: | -2.85236 |
Coulombic: | -31.4162 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 402.273 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.2 |
LogP (Chemaxon): | 4.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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