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Chemical ID: 6352140
Chemical ID:
6352140
Name [?]:
2-(4-chloro-2-methyl-phenoxy)-N-(p-tolylmethyl)acetamide
SMILES [?]:
Cc1ccc(cc1)CNC(=O)COc2ccc(cc2C)Cl
InChi [?]:
InChI=1/C17H18ClNO2/c1-12-3-5-14(6-4-12)10-19-17(20)11-21-16-8-7-15(18)9-13(16)2/h3-9H,10-11H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,20,3,7,4,6,16,15,18,8,12,2,19,5,17,14,10,21,9,11,13/E:(3,4)(5,6)/rA:21nCCCCCCCCNCOCOCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18ClNO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.52797 |
Area: | 534.508 |
Solvation: | -3.83472 |
Coulombic: | -30.4014 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 303.783 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.1 |
LogP (Chemaxon): | 3.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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