ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7512480

Chemical ID:

7512480

Name [?]:

4-(4-ethylcyclohexyl)-2,6-dimethyl-morpholine

SMILES [?]:

CCC1CCC(CC1)N2CC(OC(C2)C)C

InChi [?]:

InChI=1/C14H27NO/c1-4-13-5-7-14(8-6-13)15-9-11(2)16-12(3)10-15/h11-14H,4-10H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,15,16,2,4,8,5,7,14,10,13,11,3,6,9,12/E:(2,3)(5,6)(7,8)(9,10)(11,12)/rA:16cCCCCCCCCNCCOCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s9;s10;s11;s12;s9s13;s13;s11;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₂₇NO
All Atoms:	43
Heavy Atoms:	16
Chiral Atoms:	None

ZAP Information [?]

Total:	7.82427
Area:	418.547
Solvation:	-2.63939
Coulombic:	-13.3902

Bond Count [?]

All:	17
Single:	17
Double:	0
Rotors:	2
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.49
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