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Chemical ID: 6462568
Chemical ID:
6462568
Name [?]:
N-(o-tolyl)-2-(2,4,5-trichlorophenoxy)-acetamide
SMILES [?]:
Cc1ccccc1NC(=O)COc2cc(c(cc2Cl)Cl)Cl
InChi [?]:
InChI=1/C15H12Cl3NO2/c1-9-4-2-3-5-13(9)19-15(20)8-21-14-7-11(17)10(16)6-12(14)18/h2-7H,8H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,17,14,11,2,16,15,18,7,13,9,20,21,19,8,10,12/rA:21nCCCCCCCNCOCOCCCCCCClClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s16;s15;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12Cl3NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.9503 |
Area: | 532.532 |
Solvation: | -4.36302 |
Coulombic: | -28.6753 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 344.619 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.77 |
LogP (Chemaxon): | 4.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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