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Chemical ID: 6379813
Chemical ID:
6379813
Name [?]:
2,2,2-trichloro-N-[4-(1-naphthyl)thiazol-2-yl]-acetamide
SMILES [?]:
c1ccc2c(c1)cccc2c3csc(n3)NC(=O)C(Cl)(Cl)Cl
InChi [?]:
InChI=1/C15H9Cl3N2OS/c16-15(17,18)13(21)20-14-19-12(8-22-14)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,8,6,7,3,9,12,5,4,10,11,17,14,19,20,21,22,15,16,18,13/E:(16,17,18)/rA:22nCCCCCCCCCCCCSCNNCOCClClCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s12;s13;s11d14;s14;s16;d17;s17;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H9Cl3N2OS |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4841 |
Area: | 537.537 |
Solvation: | -1.95432 |
Coulombic: | -32.7978 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 371.669 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.49 |
LogP (Chemaxon): | 5.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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