ChemDB: Chemical Search
Download
Chemical ID: 7140862
Chemical ID:
7140862
Name [?]:
4-[[2-(2,4-dichlorophenyl)imino-4-oxo-thiazolidin-5-ylidene]methyl]benzoic acid
SMILES [?]:
c1cc(ccc1C=C2C(=O)NC(=Nc3ccc(cc3Cl)Cl)S2)C(=O)O
InChi [?]:
InChI=1/C17H10Cl2N2O3S/c18-11-5-6-13(12(19)8-11)20-17-21-15(22)14(25-17)7-9-1-3-10(4-2-9)16(23)24/h1-8H,(H,23,24)(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,16,15,7,18,6,3,17,19,14,8,9,23,12,21,20,13,11,10,24,25,22/E:(1,2)(3,4)(23,24)/rA:25nCCCCCCCCCONCNCCCCCCClClSCOO/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s19;s17;s8s12;s3;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H10Cl2N2O3S |
All Atoms: | 35 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7492 |
Area: | 585.562 |
Solvation: | -2.88982 |
Coulombic: | -57.3907 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 393.244 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.95 |
LogP (Chemaxon): | 4.9 |
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 |
---|