ChemDB: Chemical Search
Download
Chemical ID: 6423867
Chemical ID:
6423867
Name [?]:
2-[1-(5-chloro-2-thienyl)cyclohexyl]acetic acid
SMILES [?]:
c1cc(sc1C2(CCCCC2)CC(=O)O)Cl
InChi [?]:
InChI=1/C12H15ClO2S/c13-10-5-4-9(16-10)12(8-11(14)15)6-2-1-3-7-12/h4-5H,1-3,6-8H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:9,8,10,1,2,7,11,12,5,3,13,6,16,14,15,4/E:(2,3)(6,7)(14,15)/rA:16nCCCSCCCCCCCCCOOCl/rB:s1;d2;s3;d1s4;s5;s6;s7;s8;s9;s6s10;s6;s12;d13;s13;s3;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15ClO2S |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.36817 |
Area: | 413.382 |
Solvation: | -1.96639 |
Coulombic: | -27.958 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 258.765 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.79 |
LogP (Chemaxon): | 3.38 |
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 |
---|