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Chemical ID: 4600015
Chemical ID:
4600015
Name [?]:
2-chloro-N-[5-(p-tolylmethyl)thiazol-2-yl]-acetamide
SMILES [?]:
Cc1ccc(cc1)Cc2cnc(s2)NC(=O)CCl
InChi [?]:
InChI=1/C13H13ClN2OS/c1-9-2-4-10(5-3-9)6-11-8-15-13(18-11)16-12(17)7-14/h2-5,8H,6-7H2,1H3,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,8,17,10,2,5,9,15,12,18,11,14,16,13/E:(2,3)(4,5)/rA:18nCCCCCCCCCCNCSNCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H13ClN2OS |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.22743 |
Area: | 476.69 |
Solvation: | -3.68981 |
Coulombic: | -25.3261 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 280.774 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.9 |
LogP (Chemaxon): | 3.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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