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Chemical ID: 4391530
Chemical ID:
4391530
Name [?]:
2-(4-ethylphenoxy)-1-morpholino-ethanone
SMILES [?]:
CCc1ccc(cc1)OCC(=O)N2CCOCC2
InChi [?]:
InChI=1/C14H19NO3/c1-2-12-3-5-13(6-4-12)18-11-14(16)15-7-9-17-10-8-15/h3-6H,2,7-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,4,8,5,7,14,18,15,17,10,3,6,11,13,12,16,9/E:(3,4)(5,6)(7,8)(9,10)/rA:18nCCCCCCCCOCCONCCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19NO3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.07347 |
Area: | 449.535 |
Solvation: | -5.1649 |
Coulombic: | -31.8977 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 249.306 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.75 |
LogP (Chemaxon): | 1.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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