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Chemical ID: 4313092

Chemical ID:

4313092

Name [?]:

1-[2-(2,4,6-trichlorophenoxy)ethyl]pyrrolidine

SMILES [?]:

c1c(cc(c(c1Cl)OCCN2CCCC2)Cl)Cl

InChi [?]:

InChI=1/C12H14Cl3NO/c13-9-7-10(14)12(11(15)8-9)17-6-5-16-3-1-2-4-16/h7-8H,1-6H2

InChi Info:

AuxInfo=1/0/N:13,14,12,15,10,9,1,3,2,6,4,5,17,7,16,11,8/E:(1,2)(3,4)(7,8)(10,11)(14,15)/rA:17nCCCCCCClOCCNCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;s5;s8;s9;s10;s11;s12;s13;s11s14;s4;s2;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₄Cl₃NO
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	8.71032
Area:	456.718
Solvation:	-2.70764
Coulombic:	-13.3808

Bond Count [?]

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

Chemical Properties

Molecular Weight:	294.604
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	4.16
LogP (Chemaxon):	3.65

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