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Chemical ID: 6397647
Chemical ID:
6397647
Name [?]:
2-(4-chloro-2-methyl-phenoxy)-N-(2,5-dichlorophenyl)-acetamide
SMILES [?]:
Cc1cc(ccc1OCC(=O)Nc2cc(ccc2Cl)Cl)Cl
InChi [?]:
InChI=1/C15H12Cl3NO2/c1-9-6-10(16)3-5-14(9)21-8-15(20)19-13-7-11(17)2-4-12(13)18/h2-7H,8H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,16,5,17,6,3,14,9,2,4,15,18,13,7,10,21,20,19,12,11,8/rA:21nCCCCCCCOCCONCCCCCCClClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12Cl3NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.87379 |
Area: | 541.168 |
Solvation: | -3.6554 |
Coulombic: | -29.8714 |
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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