ChemDB: Chemical Search
Download
Chemical ID: 5560535
Chemical ID:
5560535
Name [?]:
5-[(3-chloro-4-hydroxy-phenyl)methylene]-2-phenylimino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(c(c3)Cl)O)S2
InChi [?]:
InChI=1/C16H11ClN2O2S/c17-12-8-10(6-7-13(12)20)9-14-15(21)19-16(22-14)18-11-4-2-1-3-5-11/h1-9,20H,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,15,16,19,13,14,4,18,17,12,10,8,20,7,9,21,11,22/E:(2,3)(4,5)/rA:22nCCCCCCNCNCOCCCCCCCCClOS/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s18;s17;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H11ClN2O2S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0778 |
Area: | 514.464 |
Solvation: | -2.78377 |
Coulombic: | -46.0323 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 330.79 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.31 |
LogP (Chemaxon): | 4.59 |
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 |
---|