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Chemical ID: 4346295
Chemical ID:
4346295
Name [?]:
2-(4-chloro-3,5-dimethyl-phenoxy)-N-ethyl-acetamide
SMILES [?]:
CCNC(=O)COc1cc(c(c(c1)C)Cl)C
InChi [?]:
InChI=1/C12H16ClNO2/c1-4-14-11(15)7-16-10-5-8(2)12(13)9(3)6-10/h5-6H,4,7H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,14,16,2,13,9,6,12,10,8,4,11,15,3,5,7/E:(2,3)(5,6)(8,9)/rA:16nCCNCOCOCCCCCCCClC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s12;s11;s10;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16ClNO2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.41759 |
Area: | 439.903 |
Solvation: | -3.57998 |
Coulombic: | -28.7715 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 241.714 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.61 |
LogP (Chemaxon): | 2.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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