Chemical ID: 6450008

c1cc(c(c(c1)Cl)Cl)OCCCCCN2CCCCC2
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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Descriptor Annotations

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