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Chemical ID: 5988672
Chemical ID:
5988672
Name [?]:
1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-2-methyl-propan-1-one
SMILES [?]:
CC(C)C(=O)N1CCCC(C1)c2nc(no2)c3ccc(cc3)F
InChi [?]:
InChI=1/C17H20FN3O2/c1-11(2)17(22)21-9-3-4-13(10-21)16-19-15(20-23-16)12-5-7-14(18)8-6-12/h5-8,11,13H,3-4,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,8,9,18,22,19,21,7,11,2,17,10,20,14,12,4,23,13,15,6,5,16/E:(1,2)(5,6)(7,8)/rA:23cCCCCONCCCCCCNCNOCCCCCCF/rB:s1;s2;s2;d4;s4;s6;s7;s8;s9;s6s10;s10;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20FN3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.64646 |
Area: | 517.407 |
Solvation: | -3.28871 |
Coulombic: | -32.1065 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 317.358 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.94 |
LogP (Chemaxon): | 3.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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