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Chemical ID: 6718007
Chemical ID:
6718007
Name [?]:
5-(4-methyl-1-piperidyl)-5-oxo-pentanoate
SMILES [?]:
CC1CCN(CC1)C(=O)CCCC(=O)[O-]
InChi [?]:
InChI=1/C11H19NO3/c1-9-5-7-12(8-6-9)10(13)3-2-4-11(14)15/h9H,2-8H2,1H3,(H,14,15)/p-1
InChi Info:
AuxInfo=1/1/N:1,11,10,12,3,7,4,6,2,8,13,5,9,14,15/E:(5,6)(7,8)(14,15)/rA:15nCCCCNCCCOCCCCOO-/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;s11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H18NO3- |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -34.8915 |
Area: | 406.653 |
Solvation: | -45.0578 |
Coulombic: | -12.9483 |
Bond Count [?]
All: | 15 |
Single: | 13 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 212.266 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 0.47 |
LogP (Chemaxon): | 0.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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