ChemDB: Chemical Search
Download
Chemical ID: 5674982
Chemical ID:
5674982
Name [?]:
[1-ethyl-3-[2-(2-furyl)-2-oxo-ethyl]-benzoimidazol-2-ylidene]ammonium
SMILES [?]:
CCn1c2ccccc2n(c1=[NH2+])CC(=O)c3ccco3
InChi [?]:
InChI=1/C15H15N3O2/c1-2-17-11-6-3-4-7-12(11)18(15(17)16)10-13(19)14-8-5-9-20-14/h3-9,16H,2,10H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,7,18,5,8,17,19,13,4,9,14,16,11,12,3,10,15,20/rA:20nCCNCCCCCCNCN+CCOCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;d11;s10;s13;d14;s14;d16;s17;d18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16N3O2+ |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -26.7413 |
Area: | 457.989 |
Solvation: | -38.191 |
Coulombic: | -32.6342 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 270.307 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.34 |
LogP (Chemaxon): | 3.07 |
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 |
---|