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Chemical ID: 5988214
Chemical ID:
5988214
Name [?]:
(3-fluorophenyl)-[4-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
Cc1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)c4cccc(c4)F
InChi [?]:
InChI=1/C21H20FN3O2/c1-14-5-7-15(8-6-14)19-23-20(27-24-19)16-9-11-25(12-10-16)21(26)17-3-2-4-18(22)13-17/h2-8,13,16H,9-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,22,24,3,7,4,6,14,18,15,17,26,2,5,13,21,25,8,10,19,27,9,12,16,20,11/E:(5,6)(7,8)(9,10)(11,12)/rA:27nCCCCCCCCNCONCCCNCCCOCCCCCCF/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;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20FN3O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9482 |
Area: | 577.884 |
Solvation: | -3.49889 |
Coulombic: | -34.13 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 365.401 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.55 |
LogP (Chemaxon): | 4.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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