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Chemical ID: 4324812
Chemical ID:
4324812
Name [?]:
2-(2,4-dimethylphenoxy)-1-(1-piperidyl)ethanone
SMILES [?]:
Cc1ccc(c(c1)C)OCC(=O)N2CCCCC2
InChi [?]:
InChI=1/C15H21NO2/c1-12-6-7-14(13(2)10-12)18-11-15(17)16-8-4-3-5-9-16/h6-7,10H,3-5,8-9,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,16,15,17,3,4,14,18,7,10,2,6,5,11,13,12,9/E:(4,5)(8,9)/rA:18nCCCCCCCCOCCONCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21NO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.59003 |
Area: | 447.492 |
Solvation: | -3.59726 |
Coulombic: | -24.2865 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 247.333 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.78 |
LogP (Chemaxon): | 2.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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