ChemDB: Chemical Search
Download
Chemical ID: 6121207
Chemical ID:
6121207
Name [?]:
5-[(4-hydroxy-3-iodo-5-methoxy-phenyl)methylene]thiazolidine-2,4-dione
SMILES [?]:
COc1cc(cc(c1O)I)C=C2C(=O)NC(=O)S2
InChi [?]:
InChI=1/C11H8INO4S/c1-17-7-3-5(2-6(12)9(7)14)4-8-10(15)13-11(16)18-8/h2-4,14H,1H3,(H,13,15,16)
InChi Info:
AuxInfo=1/1/N:1,6,4,11,5,7,3,12,8,13,16,10,15,9,14,17,2,18/rA:18nCOCCCCCCOICCCONCOS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s7;s5;w11;s12;d13;s13;s15;d16;s12s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H8INO4S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.39901 |
Area: | 447.926 |
Solvation: | -4.79915 |
Coulombic: | -53.8949 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 377.156 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.01 |
LogP (Chemaxon): | 2.28 |
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 |
---|