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Chemical ID: 6282958
Chemical ID:
6282958
Name [?]:
4-chloro-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-benzamide
SMILES [?]:
c1cc(ccc1c2nnc(o2)NC(=O)c3ccc(cc3)Cl)Cl
InChi [?]:
InChI=1/C15H9Cl2N3O2/c16-11-5-1-9(2-6-11)13(21)18-15-20-19-14(22-15)10-3-7-12(17)8-4-10/h1-8H,(H,18,20,21)
InChi Info:
AuxInfo=1/1/N:16,20,1,5,17,19,2,4,15,6,18,3,13,7,10,21,22,12,8,9,14,11/E:(1,2)(3,4)(5,6)(7,8)/rA:22nCCCCCCCNNCONCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s7s10;s10;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H9Cl2N3O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9534 |
Area: | 536.118 |
Solvation: | -2.44957 |
Coulombic: | -38.8318 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 334.156 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.6 |
LogP (Chemaxon): | 3.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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