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Chemical ID: 4765780
Chemical ID:
4765780
Name [?]:
1-[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-piperidyl]ethanone
SMILES [?]:
CC(=O)N1CCC(CC1)c2nc(no2)c3ccc(cc3)C(F)(F)F
InChi [?]:
InChI=1/C16H16F3N3O2/c1-10(23)22-8-6-12(7-9-22)15-20-14(21-24-15)11-2-4-13(5-3-11)16(17,18)19/h2-5,12H,6-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,20,17,19,6,8,5,9,2,15,7,18,12,10,21,22,23,24,11,13,4,3,14/E:(2,3)(4,5)(6,7)(8,9)(17,18,19)/rA:24nCCONCCCCCCNCNOCCCCCCCFFF/rB:s1;d2;s2;s4;s5;s6;s7;s4s8;s7;d10;s11;d12;s10s13;s12;s15;d16;s17;d18;d15s19;s18;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16F3N3O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.32734 |
Area: | 516.152 |
Solvation: | -3.57646 |
Coulombic: | -45.6421 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 339.312 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.16 |
LogP (Chemaxon): | 2.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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