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Chemical ID: 5159579
Chemical ID:
5159579
Name [?]:
2-(2,6-dimethylphenoxy)-1-morpholino-ethanone
SMILES [?]:
Cc1cccc(c1OCC(=O)N2CCOCC2)C
InChi [?]:
InChI=1/C14H19NO3/c1-11-4-3-5-12(2)14(11)18-10-13(16)15-6-8-17-9-7-15/h3-5H,6-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,4,3,5,13,17,14,16,9,2,6,10,7,12,11,15,8/E:(1,2)(4,5)(6,7)(8,9)(11,12)/rA:18nCCCCCCCOCCONCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s6;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19NO3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.16591 |
Area: | 439.901 |
Solvation: | -4.83161 |
Coulombic: | -32.1338 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 249.306 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.3 |
LogP (Chemaxon): | 1.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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