ChemDB: Chemical Search
Download
Chemical ID: 5725198
Chemical ID:
5725198
Name [?]:
2-(2,3-dimethylphenyl)imino-5-[(3-fluorophenyl)methylene]thiazol-4-ol
SMILES [?]:
Cc1cccc(c1C)N=C2N=C(C(=Cc3cccc(c3)F)S2)O
InChi [?]:
InChI=1/C18H15FN2OS/c1-11-5-3-8-15(12(11)2)20-18-21-17(22)16(23-18)10-13-6-4-7-14(19)9-13/h3-10H,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,8,4,17,3,16,18,5,20,14,2,7,15,19,6,13,12,10,21,9,11,23,22/rA:23nCCCCCCCCNCNCCCCCCCCCFSO/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;w9;s10;d11;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s10s13;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15FN2OS |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.31 |
Area: | 512.555 |
Solvation: | -2.50382 |
Coulombic: | -35.8409 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 326.389 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.22 |
LogP (Chemaxon): | 6.12 |
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 |
---|