ChemDB: Chemical Search
Download
Chemical ID: 6143046
Chemical ID:
6143046
Name [?]:
2-(2,3-dichlorophenyl)imino-5-[(3-nitrophenyl)methylene]thiazolidin-4-one
SMILES [?]:
c1cc(cc(c1)[N+](=O)[O-])C=C2C(=O)NC(=Nc3cccc(c3Cl)Cl)S2
InChi [?]:
InChI=1/C16H9Cl2N3O3S/c17-11-5-2-6-12(14(11)18)19-16-20-15(22)13(25-16)8-9-3-1-4-10(7-9)21(23)24/h1-8H,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,19,2,6,20,18,4,10,3,5,21,17,11,22,12,15,24,23,16,14,7,13,8,9,25/E:(23,24)/CRV:21.5/rA:25nCCCCCCN+OO-CCCONCNCCCCCCClClS/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s3;w10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s21;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H9Cl2N3O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.91858 |
Area: | 573.8 |
Solvation: | -7.42641 |
Coulombic: | -41.5922 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 394.232 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.11 |
LogP (Chemaxon): | 5.34 |
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 |
---|