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Chemical ID: 4179591

Chemical ID:

4179591

Name [?]:

1-[2-(2,4-dichlorophenoxy)ethyl]piperidine

SMILES [?]:

c1cc(c(cc1Cl)Cl)OCCN2CCCCC2

InChi [?]:

InChI=1/C13H17Cl2NO/c14-11-4-5-13(12(15)10-11)17-9-8-16-6-2-1-3-7-16/h4-5,10H,1-3,6-9H2

InChi Info:

AuxInfo=1/0/N:15,14,16,1,2,13,17,11,10,5,6,4,3,7,8,12,9/E:(2,3)(6,7)/rA:17nCCCCCCClClOCCNCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;s10;s11;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₇Cl₂NO
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	8.62821
Area:	464.278
Solvation:	-2.97875
Coulombic:	-13.26

Bond Count [?]

All:	18
Single:	15
Double:	3
Rotors:	4
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	274.186
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	3.9
LogP (Chemaxon):	3.53

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value