ChemDB: Chemical Search
Download
Chemical ID: 6283018
Chemical ID:
6283018
Name [?]:
5-chloro-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-nitro-benzamide
SMILES [?]:
c1cc(ccc1c2nnc(o2)NC(=O)c3cc(ccc3[N+](=O)[O-])Cl)Cl
InChi [?]:
InChI=1/C15H8Cl2N4O4/c16-9-3-1-8(2-4-9)14-19-20-15(25-14)18-13(22)11-7-10(17)5-6-12(11)21(23)24/h1-7H,(H,18,20,22)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,18,19,16,6,3,17,15,20,13,7,10,25,24,12,8,9,21,14,22,23,11/E:(1,2)(3,4)(23,24)/CRV:21.5/rA:25nCCCCCCCNNCONCOCCCCCCN+OO-ClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s7s10;s10;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d21;s21;s17;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H8Cl2N4O4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.34527 |
Area: | 568.471 |
Solvation: | -9.8665 |
Coulombic: | -44.7484 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 379.154 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.37 |
LogP (Chemaxon): | 3.86 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|