Chemical ID: 4692858

Cc1ccc(c(c1)C)OCc2cnc(s2)Cl
Chemical ID:
4692858
Name [?]:
2-chloro-5-[(2,4-dimethylphenoxy)methyl]thiazole
SMILES [?]:
Cc1ccc(c(c1)C)OCc2cnc(s2)Cl
InChi [?]:
InChI=1/C12H12ClNOS/c1-8-3-4-11(9(2)5-8)15-7-10-6-14-12(13)16-10/h3-6H,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,3,4,7,12,10,2,6,11,5,14,16,13,9,15/rA:16nCCCCCCCCOCCCNCSCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s12;d13;s11s14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12ClNOS
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.9485
Area:444.406
Solvation:-2.16165
Coulombic:-15.149
Bond Count [?]
All:17
Single:12
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:253.749
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.76
LogP (Chemaxon):3.7

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue