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Chemical ID: 5269886
Chemical ID:
5269886
Name [?]:
2-chloro-N-[5-[(3-chloro-4-methyl-phenyl)methyl]thiazol-2-yl]-acetamide
SMILES [?]:
Cc1ccc(cc1Cl)Cc2cnc(s2)NC(=O)CCl
InChi [?]:
InChI=1/C13H12Cl2N2OS/c1-8-2-3-9(5-11(8)15)4-10-7-16-13(19-10)17-12(18)6-14/h2-3,5,7H,4,6H2,1H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,4,9,6,18,11,2,5,10,7,16,13,19,8,12,15,17,14/rA:19nCCCCCCCClCCCNCSNCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;d12;s10s13;s13;s15;d16;s16;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H12Cl2N2OS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.00919 |
Area: | 507.081 |
Solvation: | -3.66783 |
Coulombic: | -25.5862 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 315.219 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.31 |
LogP (Chemaxon): | 3.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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