ChemDB: Chemical Search
Download
Chemical ID: 5586472
Chemical ID:
5586472
Name [?]:
5-[(3-bromo-5-chloro-2-hydroxy-phenyl)methylene]-2-(2-chlorophenyl)imino-thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)N=C2NC(=O)C(=Cc3cc(cc(c3O)Br)Cl)S2)Cl
InChi [?]:
InChI=1/C16H9BrCl2N2O2S/c17-10-7-9(18)5-8(14(10)22)6-13-15(23)21-16(24-13)20-12-4-2-1-3-11(12)19/h1-7,22H,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,15,13,17,14,16,18,4,5,12,19,10,8,21,22,24,7,9,20,11,23/rA:24nCCCCCCNCNCOCCCCCCCCOBrClSCl/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s18;s16;s8s12;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H9BrCl2N2O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5963 |
Area: | 570.061 |
Solvation: | -2.65527 |
Coulombic: | -46.1088 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 444.13 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.73 |
LogP (Chemaxon): | 5.9 |
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 |
---|