ChemDB: Chemical Search
Download
Chemical ID: 4237354
Chemical ID:
4237354
Name [?]:
3-(4-bromophenyl)-5-cyclohexyl-1,2,4-oxadiazole
SMILES [?]:
c1cc(ccc1c2nc(on2)C3CCCCC3)Br
InChi [?]:
InChI=1/C14H15BrN2O/c15-12-8-6-10(7-9-12)13-16-14(18-17-13)11-4-2-1-3-5-11/h6-9,11H,1-5H2
InChi Info:
AuxInfo=1/0/N:15,14,16,13,17,1,5,2,4,6,12,3,7,9,18,8,11,10/E:(2,3)(4,5)(6,7)(8,9)/rA:18nCCCCCCCNCONCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d7s10;s9;s12;s13;s14;s15;s12s16;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15BrN2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1115 |
Area: | 447.311 |
Solvation: | -1.07125 |
Coulombic: | -14.3068 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 307.186 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 5.1 |
LogP (Chemaxon): | 4.73 |
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 |
---|