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Chemical ID: 5175844
Chemical ID:
5175844
Name [?]:
1-[2-(1-piperidyl)phenyl]ethanone
SMILES [?]:
CC(=O)c1ccccc1N2CCCCC2
InChi [?]:
InChI=1/C13H17NO/c1-11(15)12-7-3-4-8-13(12)14-9-5-2-6-10-14/h3-4,7-8H,2,5-6,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,6,7,12,14,5,8,11,15,2,4,9,10,3/E:(5,6)(9,10)/rA:15nCCOCCCCCCNCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H17NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.53379 |
Area: | 372.354 |
Solvation: | -2.77505 |
Coulombic: | -13.413 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 203.28 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.93 |
LogP (Chemaxon): | 2.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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