ChemDB: Chemical Search
Download
Chemical ID: 5829498
Chemical ID:
5829498
Name [?]:
cyclooctane-1,2-dione oxime
SMILES [?]:
C1CCCC(=NO)C(=NO)CC1
InChi [?]:
InChI=1/C8H14N2O2/c11-9-7-5-3-1-2-4-6-8(7)10-12/h11-12H,1-6H2
InChi Info:
AuxInfo=1/0/N:1,2,12,3,11,4,8,5,9,6,10,7/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:12nCCCCCNOCNOCC/rB:s1;s2;s3;s4;w5;s6;s5;w8;s9;s8;s1s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H14N2O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.55879 |
Area: | 321.526 |
Solvation: | -2.47936 |
Coulombic: | -25.349 |
Bond Count [?]
All: | 12 |
Single: | 10 |
Double: | 2 |
Rotors: | 0 |
Chiral: | 2 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 170.209 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.55 |
LogP (Chemaxon): | 2.32 |
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 |
---|