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Chemical ID: 5569545
Chemical ID:
5569545
Name [?]:
3-chloro-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-benzamide
SMILES [?]:
CCOc1ccc(cc1)c2nnc(o2)NC(=O)c3cccc(c3)Cl
InChi [?]:
InChI=1/C17H14ClN3O3/c1-2-23-14-8-6-11(7-9-14)16-20-21-17(24-16)19-15(22)12-4-3-5-13(18)10-12/h3-10H,2H2,1H3,(H,19,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,20,19,21,6,8,5,9,23,7,18,22,4,16,10,13,24,15,11,12,17,3,14/E:(6,7)(8,9)/rA:24nCCOCCCCCCCNNCONCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;d12;s10s13;s13;s15;d16;s16;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14ClN3O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4789 |
Area: | 565.98 |
Solvation: | -3.67062 |
Coulombic: | -45.131 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 343.764 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.32 |
LogP (Chemaxon): | 3.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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