ChemDB: Chemical Search
Download
Chemical ID: 4419344
Chemical ID:
4419344
Name [?]:
3-(4-fluorophenyl)-5-[1-(p-tolyl)ethylidene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)C(=C2C(=O)N(C(=S)S2)c3ccc(cc3)F)C
InChi [?]:
InChI=1/C18H14FNOS2/c1-11-3-5-13(6-4-11)12(2)16-17(21)20(18(22)23-16)15-9-7-14(19)8-10-15/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,3,7,4,6,18,20,17,21,2,8,5,19,16,9,10,13,22,12,11,14,15/E:(3,4)(5,6)(7,8)(9,10)/rA:23nCCCCCCCCCCONCSSCCCCCCFC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;d13;s9s13;s12;s16;d17;s18;d19;d16s20;s19;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14FNOS2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.491 |
Area: | 520.461 |
Solvation: | -2.52051 |
Coulombic: | -23.6851 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 343.44 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.13 |
LogP (Chemaxon): | 5.25 |
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 |
---|