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Chemical ID: 6339788
Chemical ID:
6339788
Name [?]:
1-[4-[2-(1-piperidyl)ethoxy]phenyl]propan-1-one
SMILES [?]:
CCC(=O)c1ccc(cc1)OCCN2CCCCC2
InChi [?]:
InChI=1/C16H23NO2/c1-2-16(18)14-6-8-15(9-7-14)19-13-12-17-10-4-3-5-11-17/h6-9H,2-5,10-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,17,16,18,6,10,7,9,15,19,13,12,5,8,3,14,4,11/E:(4,5)(6,7)(8,9)(10,11)/rA:19nCCCOCCCCCCOCCNCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H23NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.12448 |
Area: | 479.2 |
Solvation: | -3.85552 |
Coulombic: | -20.1642 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 261.359 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.75 |
LogP (Chemaxon): | 2.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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