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Chemical ID: 4796946
Chemical ID:
4796946
Name [?]:
N-(3-fluorophenyl)-2-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]-benzamide
SMILES [?]:
Cc1ccccc1c2nc(on2)c3ccccc3C(=O)Nc4cccc(c4)F
InChi [?]:
InChI=1/C22H16FN3O2/c1-14-7-2-3-10-17(14)20-25-22(28-26-20)19-12-5-4-11-18(19)21(27)24-16-9-6-8-15(23)13-16/h2-13H,1H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,4,5,16,15,24,3,25,23,6,17,14,27,2,26,22,7,18,13,8,19,10,28,21,9,12,20,11/rA:28nCCCCCCCCNCONCCCCCCCONCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d8s11;s10;s13;d14;s15;d16;d13s17;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H16FN3O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4862 |
Area: | 567.546 |
Solvation: | -3.7025 |
Coulombic: | -39.4961 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 373.38 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.67 |
LogP (Chemaxon): | 5.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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