ChemDB: Chemical Search
Download
Chemical ID: 5573640
Chemical ID:
5573640
Name [?]:
2-cyano-3-(5-nitro-2-furyl)-prop-2-enamide
SMILES [?]:
c1cc(oc1C=C(C#N)C(=O)N)[N+](=O)[O-]
InChi [?]:
InChI=1/C8H5N3O4/c9-4-5(8(10)12)3-6-1-2-7(15-6)11(13)14/h1-3H,(H2,10,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,7,5,3,10,9,12,13,11,14,15,4/E:(13,14)/CRV:11.5/rA:15nCCCOCCCCNCONN+OO-/rB:s1;d2;s3;d1s4;s5;w6;s7;t8;s7;d10;s10;s3;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H5N3O4 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -0.438588 |
Area: | 374.287 |
Solvation: | -9.79577 |
Coulombic: | -48.6876 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 207.143 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 0.04 |
LogP (Chemaxon): | -0.02 |
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 |
---|