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Chemical ID: 4692858
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
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Experimental Annotations
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Descriptor Annotations
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