ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7722440

Chemical ID:

7722440

Name [?]:

None

SMILES [?]:

C1CCC(CC1)OCC(C[NH+]2CCCCC2)O

InChi [?]:

InChI=1/C14H27NO2/c16-13(11-15-9-5-2-6-10-15)12-17-14-7-3-1-4-8-14/h13-14,16H,1-12H2/p+1

InChi Info:

AuxInfo=1/1/N:1,14,2,6,13,15,3,5,12,16,10,8,9,4,11,17,7/E:(3,4)(5,6)(7,8)(9,10)/rA:17cCCCCCCOCCCN+CCCCCO/rB:s1;s2;s3;s4;s1s5;s4;s7;s8;s9;s10;s11;s12;s13;s14;s11s15;s9;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₂₈NO₂₊
All Atoms:	45
Heavy Atoms:	17
Chiral Atoms:	None

ZAP Information [?]

Total:	-21.1866
Area:	449.159
Solvation:	-32.4156
Coulombic:	4.28414

Bond Count [?]

All:	18
Single:	18
Double:	0
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.89
LogP (Chemaxon):	None

Name Annotations

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

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