Chemical ID: 6423867

c1cc(sc1C2(CCCCC2)CC(=O)O)Cl
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

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