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Chemical ID: 7298826
Chemical ID:
7298826
Name [?]:
N-(2-chloro-4,6-dimethyl-phenyl)-2-(3-chlorophenoxy)-acetamide
SMILES [?]:
Cc1cc(c(c(c1)Cl)NC(=O)COc2cccc(c2)Cl)C
InChi [?]:
InChI=1/C16H15Cl2NO2/c1-10-6-11(2)16(14(18)7-10)19-15(20)9-21-13-5-3-4-12(17)8-13/h3-8H,9H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,16,17,15,3,7,19,12,2,4,18,14,6,10,5,20,8,9,11,13/rA:21nCCCCCCCClNCOCOCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15Cl2NO2 |
All Atoms: | 36 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.08125 |
Area: | 526.441 |
Solvation: | -4.07977 |
Coulombic: | -29.3309 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 324.201 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.58 |
LogP (Chemaxon): | 3.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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