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Chemical ID: 6450018
Chemical ID:
6450018
Name [?]:
1-[5-(3-chlorophenoxy)pentyl]-4-methyl-piperidine
SMILES [?]:
CC1CCN(CC1)CCCCCOc2cccc(c2)Cl
InChi [?]:
InChI=1/C17H26ClNO/c1-15-8-11-19(12-9-15)10-3-2-4-13-20-17-7-5-6-16(18)14-17/h5-7,14-15H,2-4,8-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,9,11,16,17,15,3,7,8,4,6,12,19,2,18,14,20,5,13/E:(8,9)(11,12)/rA:20nCCCCNCCCCCCCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H26ClNO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1186 |
Area: | 536.747 |
Solvation: | -2.30003 |
Coulombic: | -14.853 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 295.847 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.86 |
LogP (Chemaxon): | 4.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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