ChemDB: Chemical Search
Download
Chemical ID: 4874846
Chemical ID:
4874846
Name [?]:
3-(4-fluorophenyl)imidazolidine-2,4-dione
SMILES [?]:
c1cc(ccc1N2C(=O)CNC2=O)F
InChi [?]:
InChI=1/C9H7FN2O2/c10-6-1-3-7(4-2-6)12-8(13)5-11-9(12)14/h1-4H,5H2,(H,11,14)
InChi Info:
AuxInfo=1/1/N:2,4,1,5,10,3,6,8,12,14,11,7,9,13/E:(1,2)(3,4)/rA:14nCCCCCCNCOCNCOF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s7s11;d12;s3;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H7FN2O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.40488 |
Area: | 329.707 |
Solvation: | -2.83779 |
Coulombic: | -42.4646 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 194.163 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.55 |
LogP (Chemaxon): | 0.72 |
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 |
---|