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Chemical ID: 6166816
Chemical ID:
6166816
Name [?]:
N-(3-chloro-2-methyl-phenyl)-2-(4-methoxyphenoxy)-acetamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)COc2ccc(cc2)OC
InChi [?]:
InChI=1/C16H16ClNO3/c1-11-14(17)4-3-5-15(11)18-16(19)10-21-13-8-6-12(20-2)7-9-13/h3-9H,10H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,21,5,6,4,16,18,15,19,12,2,17,14,7,3,10,8,9,11,20,13/E:(6,7)(8,9)/rA:21nCCCCCCCClNCOCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16ClNO3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.57445 |
Area: | 506.593 |
Solvation: | -5.09037 |
Coulombic: | -35.7134 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 305.756 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.44 |
LogP (Chemaxon): | 2.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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