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Chemical ID: 4320379
Chemical ID:
4320379
Name [?]:
2-(4-chloro-2-methyl-phenoxy)-N-(2-hydroxyethyl)acetamide
SMILES [?]:
Cc1cc(ccc1OCC(=O)NCCO)Cl
InChi [?]:
InChI=1/C11H14ClNO3/c1-8-6-9(12)2-3-10(8)16-7-11(15)13-4-5-14/h2-3,6,14H,4-5,7H2,1H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,5,6,13,14,3,9,2,4,7,10,16,12,15,11,8/rA:16nCCCCCCCOCCONCCOCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;s14;s4;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14ClNO3 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.16102 |
Area: | 442.13 |
Solvation: | -4.89224 |
Coulombic: | -44.85 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 243.686 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.25 |
LogP (Chemaxon): | 1.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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