ChemDB: Chemical Search
Download
Chemical ID: 7141156
Chemical ID:
7141156
Name [?]:
5-[(4-allyloxyphenyl)methylene]-2-(3-chloro-4-fluoro-phenyl)imino-thiazolidin-4-one
SMILES [?]:
C=CCOc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(c(c3)Cl)F)S2
InChi [?]:
InChI=1/C19H14ClFN2O2S/c1-2-9-25-14-6-3-12(4-7-14)10-17-18(24)23-19(26-17)22-13-5-8-16(21)15(20)11-13/h2-8,10-11H,1,9H2,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,7,9,19,6,10,20,3,11,23,8,18,5,22,21,12,13,16,24,25,17,15,14,4,26/E:(3,4)(6,7)/rA:26nCCCOCCCCCCCCCONCNCCCCCCClFS/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;w11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s22;s21;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H14ClFN2O2S |
All Atoms: | 40 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6573 |
Area: | 592.273 |
Solvation: | -4.14948 |
Coulombic: | -41.5352 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 388.844 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.41 |
LogP (Chemaxon): | 5.5 |
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 |
---|