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Chemical ID: 4943997
Chemical ID:
4943997
Name [?]:
2-(4-chloro-3-methyl-phenoxy)-N-ethyl-acetamide
SMILES [?]:
CCNC(=O)COc1ccc(c(c1)C)Cl
InChi [?]:
InChI=1/C11H14ClNO2/c1-3-13-11(14)7-15-9-4-5-10(12)8(2)6-9/h4-6H,3,7H2,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,14,2,9,10,13,6,12,8,11,4,15,3,5,7/rA:15nCCNCOCOCCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s12;s11;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14ClNO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.95259 |
Area: | 424.095 |
Solvation: | -3.6498 |
Coulombic: | -28.7971 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 227.687 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.38 |
LogP (Chemaxon): | 2.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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