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Chemical ID: 5829401
Chemical ID:
5829401
Name [?]:
3-(4-fluorophenyl)-5-(m-tolyl)-1,2,4-oxadiazole
SMILES [?]:
Cc1cccc(c1)c2nc(no2)c3ccc(cc3)F
InChi [?]:
InChI=1/C15H11FN2O/c1-10-3-2-4-12(9-10)15-17-14(18-19-15)11-5-7-13(16)8-6-11/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,5,14,18,15,17,7,2,13,6,16,10,8,19,9,11,12/E:(5,6)(7,8)/rA:19nCCCCCCCCNCNOCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s9;d10;s8s11;s10;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11FN2O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.83664 |
Area: | 436.42 |
Solvation: | -2.07385 |
Coulombic: | -18.7958 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 254.259 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.7 |
LogP (Chemaxon): | 4.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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