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Chemical ID: 7514234
Chemical ID:
7514234
Name [?]:
5-(2-chlorophenyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILES [?]:
c1ccc(c(c1)c2nc(no2)c3ccc(cc3)F)Cl
InChi [?]:
InChI=1/C14H8ClFN2O/c15-12-4-2-1-3-11(12)14-17-13(18-19-14)9-5-7-10(16)8-6-9/h1-8H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,13,17,14,16,12,15,5,4,9,7,19,18,8,10,11/E:(5,6)(7,8)/rA:19nCCCCCCCNCNOCCCCCCFCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s9;s12;d13;s14;d15;d12s16;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H8ClFN2O |
All Atoms: | 27 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.67628 |
Area: | 439.062 |
Solvation: | -2.30028 |
Coulombic: | -18.6856 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.89 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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