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Chemical ID: 4507944
Chemical ID:
4507944
Name [?]:
N-[5-[[3-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]acetamide
SMILES [?]:
CC(=O)Nc1ncc(s1)Cc2cccc(c2)C(F)(F)F
InChi [?]:
InChI=1/C13H11F3N2OS/c1-8(19)18-12-17-7-11(20-12)6-9-3-2-4-10(5-9)13(14,15)16/h2-5,7H,6H2,1H3,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,13,12,14,16,10,7,2,11,15,8,5,17,18,19,20,6,4,3,9/E:(14,15,16)/rA:20nCCONCNCCSCCCCCCCCFFF/rB:s1;d2;s2;s4;d5;s6;d7;s5s8;s8;s10;s11;d12;s13;d14;d11s15;s15;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11F3N2OS |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.818 |
Area: | 464.638 |
Solvation: | -3.79795 |
Coulombic: | -43.3664 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 300.301 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.15 |
LogP (Chemaxon): | 3.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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