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Chemical ID: 6282647
Chemical ID:
6282647
Name [?]:
3-chloro-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-benzamide
SMILES [?]:
COc1ccc(cc1)c2nnc(o2)NC(=O)c3cccc(c3)Cl
InChi [?]:
InChI=1/C16H12ClN3O3/c1-22-13-7-5-10(6-8-13)15-19-20-16(23-15)18-14(21)11-3-2-4-12(17)9-11/h2-9H,1H3,(H,18,20,21)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,5,7,4,8,22,6,17,21,3,15,9,12,23,14,10,11,16,2,13/E:(5,6)(7,8)/rA:23nCOCCCCCCCNNCONCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12ClN3O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.68469 |
Area: | 537.727 |
Solvation: | -3.7585 |
Coulombic: | -44.8672 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 329.738 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.89 |
LogP (Chemaxon): | 3.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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