ChemDB: Chemical Search
Download
Chemical ID: 4120105
Chemical ID:
4120105
Name [?]:
7-fluoroindoline-2,3-dione
SMILES [?]:
c1cc2c(c(c1)F)NC(=O)C2=O
InChi [?]:
InChI=1/C8H4FNO2/c9-5-3-1-2-4-6(5)10-8(12)7(4)11/h1-3H,(H,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,11,9,7,8,12,10/rA:12nCCCCCCFNCOCO/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;d9;s3s9;d11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H4FNO2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.47932 |
Area: | 299.5 |
Solvation: | -3.00817 |
Coulombic: | -34.562 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 165.121 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.75 |
LogP (Chemaxon): | 1.25 |
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 |
---|