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Chemical ID: 6450008
Chemical ID:
6450008
Name [?]:
1-[5-(2,3-dichlorophenoxy)pentyl]piperidine
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)OCCCCCN2CCCCC2
InChi [?]:
InChI=1/C16H23Cl2NO/c17-14-8-7-9-15(16(14)18)20-13-6-2-5-12-19-10-3-1-4-11-19/h7-9H,1-6,10-13H2
InChi Info:
AuxInfo=1/0/N:18,12,17,19,13,11,1,6,2,16,20,14,10,5,3,4,7,8,15,9/E:(3,4)(10,11)/rA:20nCCCCCCClClOCCCCCNCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H23Cl2NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9971 |
Area: | 540.896 |
Solvation: | -2.52533 |
Coulombic: | -14.8722 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 316.265 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.97 |
LogP (Chemaxon): | 4.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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