ChemDB: Chemical Search
Download
Chemical ID: 5987982
Chemical ID:
5987982
Name [?]:
1-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]ethanone
SMILES [?]:
CC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)Br
InChi [?]:
InChI=1/C15H16BrN3O2/c1-10(20)19-9-3-2-4-13(19)15-17-14(18-21-15)11-5-7-12(16)8-6-11/h5-8,13H,2-4,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,16,20,17,19,5,2,15,18,9,12,10,21,11,13,4,3,14/E:(5,6)(7,8)/rA:21cCCONCCCCCCNCNOCCCCCCBr/rB:s1;d2;s2;s4;s5;s6;s7;s4s8;s9;d10;s11;d12;s10s13;s12;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16BrN3O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.16344 |
Area: | 479.758 |
Solvation: | -2.8305 |
Coulombic: | -28.0475 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 350.211 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.47 |
LogP (Chemaxon): | 2.94 |
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 |
---|