ChemDB: Chemical Search
Download
Chemical ID: 7142650
Chemical ID:
7142650
Name [?]:
5-[(4-chlorophenyl)methylene]-3-ethyl-2-ethylimino-thiazolidin-4-one
SMILES [?]:
CCN=C1N(C(=O)C(=Cc2ccc(cc2)Cl)S1)CC
InChi [?]:
InChI=1/C14H15ClN2OS/c1-3-16-14-17(4-2)13(18)12(19-14)9-10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,2,18,11,15,12,14,9,10,13,8,6,4,16,3,5,7,17/E:(5,6)(7,8)/rA:19nCCNCNCOCCCCCCCCClSCC/rB:s1;s2;w3;s4;s5;d6;s6;w8;s9;s10;d11;s12;d13;d10s14;s13;s4s8;s5;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15ClN2OS |
All Atoms: | 34 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.4429 |
Area: | 487.257 |
Solvation: | -1.7385 |
Coulombic: | -26.0078 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.25 |
LogP (Chemaxon): | None |
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 |
---|