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Chemical ID: 7513362

Chemical ID:

7513362

Name [?]:

1-[3-(2,4,6-trichlorophenoxy)propyl]piperidine

SMILES [?]:

c1c(cc(c(c1Cl)OCCCN2CCCCC2)Cl)Cl

InChi [?]:

InChI=1/C14H18Cl3NO/c15-11-9-12(16)14(13(17)10-11)19-8-4-7-18-5-2-1-3-6-18/h9-10H,1-8H2

InChi Info:

AuxInfo=1/0/N:15,14,16,10,13,17,11,9,1,3,2,6,4,5,19,7,18,12,8/E:(2,3)(5,6)(9,10)(12,13)(16,17)/rA:19nCCCCCCClOCCCNCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;s5;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s4;s2;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₈Cl₃NO
All Atoms:	37
Heavy Atoms:	19
Chiral Atoms:	None

ZAP Information [?]

Total:	10.6681
Area:	518.299
Solvation:	-2.28933
Coulombic:	-14.338

Bond Count [?]

All:	20
Single:	17
Double:	3
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.88
LogP (Chemaxon):	None

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