ChemDB: Chemical Search
Download
Chemical ID: 7140950
Chemical ID:
7140950
Name [?]:
2-[2-chloro-5-(trifluoromethyl)phenyl]imino-5-[(4-fluorophenyl)methylene]thiazolidin-4-one
SMILES [?]:
c1cc(ccc1C=C2C(=O)NC(=Nc3cc(ccc3Cl)C(F)(F)F)S2)F
InChi [?]:
InChI=1/C17H9ClF4N2OS/c18-12-6-3-10(17(20,21)22)8-13(12)23-16-24-15(25)14(26-16)7-9-1-4-11(19)5-2-9/h1-8H,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,5,17,2,4,18,7,15,6,16,3,19,14,8,9,12,21,20,26,22,23,24,13,11,10,25/E:(1,2)(4,5)(20,21,22)/rA:26nCCCCCCCCCONCNCCCCCCClCFFFSF/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s19;s16;s21;s21;s21;s8s12;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H9ClF4N2OS |
All Atoms: | 35 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.60795 |
Area: | 535.747 |
Solvation: | -3.78574 |
Coulombic: | -51.3193 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 400.779 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.8 |
LogP (Chemaxon): | 5.89 |
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 |
---|