ChemDB: Chemical Search
Download
Chemical ID: 4836666
Chemical ID:
4836666
Name [?]:
2-(3,5-dichlorophenyl)imino-5-[(4-fluorophenyl)methylene]thiazolidin-4-one
SMILES [?]:
c1cc(ccc1C=C2C(=O)NC(=Nc3cc(cc(c3)Cl)Cl)S2)F
InChi [?]:
InChI=1/C16H9Cl2FN2OS/c17-10-6-11(18)8-13(7-10)20-16-21-15(22)14(23-16)5-9-1-3-12(19)4-2-9/h1-8H,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,7,17,15,19,6,16,18,3,14,8,9,12,21,20,23,13,11,10,22/E:(1,2)(3,4)(7,8)(10,11)(17,18)/rA:23nCCCCCCCCCONCNCCCCCCClClSF/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s18;s16;s8s12;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H9Cl2FN2OS |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7991 |
Area: | 542.982 |
Solvation: | -2.77543 |
Coulombic: | -33.1819 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 367.225 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.5 |
LogP (Chemaxon): | 5.53 |
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 |
---|