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Chemical ID: 5988699
Chemical ID:
5988699
Name [?]:
(3,5-dichlorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
c1cc(ccc1c2nc(on2)C3CCCN(C3)C(=O)c4cc(cc(c4)Cl)Cl)F
InChi [?]:
InChI=1/C20H16Cl2FN3O2/c21-15-8-14(9-16(22)10-15)20(27)26-7-1-2-13(11-26)19-24-18(25-28-19)12-3-5-17(23)6-4-12/h3-6,8-10,13H,1-2,7,11H2
InChi Info:
AuxInfo=1/0/N:14,13,1,5,2,4,15,21,25,23,17,6,12,20,22,24,3,7,9,18,27,26,28,8,11,16,19,10/E:(3,4)(5,6)(8,9)(15,16)(21,22)/rA:28cCCCCCCCNCONCCCCNCCOCCCCCCClClF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d7s10;s9;s12;s13;s14;s15;s12s16;s16;d18;s18;s20;d21;s22;d23;d20s24;s24;s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16Cl2FN3O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.2352 |
Area: | 626.299 |
Solvation: | -3.42224 |
Coulombic: | -34.2406 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 420.264 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.36 |
LogP (Chemaxon): | 4.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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