ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7513337

Chemical ID:

7513337

Name [?]:

1-[3-(2,5-dichlorophenoxy)propyl]piperidine

SMILES [?]:

c1cc(c(cc1Cl)OCCCN2CCCCC2)Cl

InChi [?]:

InChI=1/C14H19Cl2NO/c15-12-5-6-13(16)14(11-12)18-10-4-9-17-7-2-1-3-8-17/h5-6,11H,1-4,7-10H2

InChi Info:

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

Chemical Details

Atom Count

Formula:	C₁₄H₁₉Cl₂NO
All Atoms:	37
Heavy Atoms:	18
Chiral Atoms:	None

ZAP Information [?]

Total:	9.89929
Area:	494.895
Solvation:	-2.4731
Coulombic:	-14.0463

Bond Count [?]

All:	19
Single:	16
Double:	3
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.26
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value