ChemDB: Chemical Search
Download
Chemical ID: 6497814
Chemical ID:
6497814
Name [?]:
4-azabicyclo[5.4.0]undeca-2,8,10,12-tetraen-5-one
SMILES [?]:
c1ccc2c(c1)CC(=O)NC=C2
InChi [?]:
InChI=1/C10H9NO/c12-10-7-9-4-2-1-3-8(9)5-6-11-10/h1-6H,7H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,12,11,7,4,5,8,10,9/rA:12nCCCCCCCCONCC/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s4d11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9NO |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.87983 |
Area: | 308.41 |
Solvation: | -1.83042 |
Coulombic: | -20.897 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 159.185 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.37 |
LogP (Chemaxon): | 1.17 |
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 |
---|