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Chemical ID: 5988343
Chemical ID:
5988343
Name [?]:
[3,5-bis(trifluoromethyl)phenyl]-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
c1cc(cc(c1)Cl)c2nc(on2)C3CCCN(C3)C(=O)c4cc(cc(c4)C(F)(F)F)C(F)(F)F
InChi [?]:
InChI=1/C22H16ClF6N3O2/c23-17-5-1-3-12(9-17)18-30-19(34-31-18)13-4-2-6-32(11-13)20(33)14-7-15(21(24,25)26)10-16(8-14)22(27,28)29/h1,3,5,7-10,13H,2,4,6,11H2
InChi Info:
AuxInfo=1/0/N:1,15,2,14,6,16,22,26,4,24,18,3,13,21,23,25,5,8,10,19,31,27,7,32,33,34,28,29,30,9,12,17,20,11/E:(7,8)(15,16)(21,22)(24,25,26,27,28,29)/rA:34cCCCCCCClCNCONCCCCNCCOCCCCCCCFFFCFFF/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s17;d19;s19;s21;d22;s23;d24;d21s25;s25;s27;s27;s27;s23;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H16ClF6N3O2 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.2275 |
Area: | 668.668 |
Solvation: | -4.48914 |
Coulombic: | -66.5038 |
Bond Count [?]
All: | 37 |
Single: | 28 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 503.825 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.42 |
LogP (Chemaxon): | 5.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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