ChemDB: Chemical Search
Download
Chemical ID: 5722184
Chemical ID:
5722184
Name [?]:
N-(5-fluoro-2-methyl-phenyl)thiophene-2-carboxamide
SMILES [?]:
Cc1ccc(cc1NC(=O)c2cccs2)F
InChi [?]:
InChI=1/C12H10FNOS/c1-8-4-5-9(13)7-10(8)14-12(15)11-3-2-6-16-11/h2-7H,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,13,12,3,4,14,6,2,5,7,11,9,16,8,10,15/rA:16nCCCCCCCNCOCCCCSF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;d11;s12;d13;s11s14;s5;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H10FNOS |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.72721 |
Area: | 398.863 |
Solvation: | -2.24435 |
Coulombic: | -26.7157 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 235.278 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.4 |
LogP (Chemaxon): | 2.47 |
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 |
---|