ChemDB: Chemical Search
Download
Chemical ID: 4256130
Chemical ID:
4256130
Name [?]:
2-furyl-(1H-imidazol-2-yl)methanone
SMILES [?]:
c1cc(oc1)C(=O)c2[nH]ccn2
InChi [?]:
InChI=1/C8H6N2O2/c11-7(6-2-1-5-12-6)8-9-3-4-10-8/h1-5H,(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,10,11,5,3,6,8,9,12,7,4/E:(3,4)(9,10)/rA:12nCCCOCCOCNCCN/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;s9;d10;d8s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H6N2O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.22789 |
Area: | 317.882 |
Solvation: | -2.71917 |
Coulombic: | -33.3299 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 162.146 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 0.23 |
LogP (Chemaxon): | 0.43 |
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 |
---|