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Chemical ID: 4988831
Chemical ID:
4988831
Name [?]:
N-benzyl-2-(2,4,5-trichlorophenoxy)-acetamide
SMILES [?]:
c1ccc(cc1)CNC(=O)COc2cc(c(cc2Cl)Cl)Cl
InChi [?]:
InChI=1/C15H12Cl3NO2/c16-11-6-13(18)14(7-12(11)17)21-9-15(20)19-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,17,14,7,11,4,16,15,18,13,9,20,21,19,8,10,12/E:(2,3)(4,5)/rA:21nCCCCCCCNCOCOCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s4;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: | 9.427 |
Area: | 547.163 |
Solvation: | -4.25207 |
Coulombic: | -30.1362 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 344.619 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.69 |
LogP (Chemaxon): | 4.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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