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Chemical ID: 6282679
Chemical ID:
6282679
Name [?]:
2,5-dichloro-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-benzamide
SMILES [?]:
COc1ccc(cc1)c2nnc(o2)NC(=O)c3cc(ccc3Cl)Cl
InChi [?]:
InChI=1/C16H11Cl2N3O3/c1-23-11-5-2-9(3-6-11)15-20-21-16(24-15)19-14(22)12-8-10(17)4-7-13(12)18/h2-8H,1H3,(H,19,21,22)
InChi Info:
AuxInfo=1/1/N:1,5,7,20,4,8,21,18,6,19,3,17,22,15,9,12,24,23,14,10,11,16,2,13/E:(2,3)(5,6)/rA:24nCOCCCCCCCNNCONCOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H11Cl2N3O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.85691 |
Area: | 561.504 |
Solvation: | -4.18068 |
Coulombic: | -43.9703 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 364.182 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.51 |
LogP (Chemaxon): | 3.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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