ChemDB: Chemical Search
Download
Chemical ID: 5754997
Chemical ID:
5754997
Name [?]:
2-[4-[[2-(2-chlorophenyl)imino-4-oxo-thiazolidin-5-ylidene]methyl]-2-methoxy-phenoxy]acetic acid
SMILES [?]:
COc1cc(ccc1OCC(=O)O)C=C2C(=O)NC(=Nc3ccccc3Cl)S2
InChi [?]:
InChI=1/C19H15ClN2O5S/c1-26-15-8-11(6-7-14(15)27-10-17(23)24)9-16-18(25)22-19(28-16)21-13-5-3-2-4-12(13)20/h2-9H,10H2,1H3,(H,23,24)(H,21,22,25)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,22,6,7,4,14,10,5,26,21,8,3,15,11,16,19,27,20,18,12,13,17,2,9,28/E:(23,24)/rA:28nCOCCCCCCOCCOOCCCONCNCCCCCCClS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s5;w14;s15;d16;s16;s18;w19;s20;s21;d22;s23;d24;d21s25;s26;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15ClN2O5S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.77737 |
Area: | 626.484 |
Solvation: | -6.88471 |
Coulombic: | -69.5065 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 2 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 418.852 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 2.66 |
LogP (Chemaxon): | 3.91 |
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 |
---|