ChemDB: Chemical Search
Download
Chemical ID: 6430362
Chemical ID:
6430362
Name [?]:
5-[(3-hydroxyphenyl)methylene]-2-(m-tolylimino)thiazolidin-4-one
SMILES [?]:
Cc1cccc(c1)N=C2NC(=O)C(=Cc3cccc(c3)O)S2
InChi [?]:
InChI=1/C17H14N2O2S/c1-11-4-2-6-13(8-11)18-17-19-16(21)15(22-17)10-12-5-3-7-14(20)9-12/h2-10,20H,1H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,4,17,3,16,5,18,7,20,14,2,15,6,19,13,11,9,8,10,21,12,22/rA:22nCCCCCCCNCNCOCCCCCCCCOS/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14N2O2S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.87068 |
Area: | 505.096 |
Solvation: | -2.75672 |
Coulombic: | -45.4718 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 310.371 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.12 |
LogP (Chemaxon): | 4.53 |
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 |
---|