ChemDB: Chemical Search
Download
Chemical ID: 7114359
Chemical ID:
7114359
Name [?]:
1-ethyl-5-fluoro-indoline-2,3-dione
SMILES [?]:
CCN1c2ccc(cc2C(=O)C1=O)F
InChi [?]:
InChI=1/C10H8FNO2/c1-2-12-8-4-3-6(11)5-7(8)9(13)10(12)14/h3-5H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,6,5,8,7,9,4,10,12,14,3,11,13/rA:14nCCNCCCCCCCOCOF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s3s10;d12;s7;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H8FNO2 |
All Atoms: | 22 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.42122 |
Area: | 340.094 |
Solvation: | -3.08114 |
Coulombic: | -29.8747 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 193.174 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.31 |
LogP (Chemaxon): | 1.36 |
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 |
---|