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Chemical ID: 7234715

Chemical ID:

7234715

Name [?]:

[(2-hydroxycyclohexyl)-(3-hydroxyphenyl)-methyl]-dimethyl-ammonium

SMILES [?]:

C[NH+](C)C(c1cccc(c1)O)C2CCCCC2O

InChi [?]:

InChI=1/C15H23NO2/c1-16(2)15(11-6-5-7-12(17)10-11)13-8-3-4-9-14(13)18/h5-7,10,13-15,17-18H,3-4,8-9H2,1-2H3/p+1

InChi Info:

AuxInfo=1/1/N:1,3,14,15,7,6,8,13,16,10,5,9,12,17,4,2,11,18/E:(1,2)/rA:18cCN+CCCCCCCCOCCCCCCO/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s9;s4;s12;s13;s14;s15;s12s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₄NO₂₊
All Atoms:	42
Heavy Atoms:	18
Chiral Atoms:	None

ZAP Information [?]

Total:	-22.1406
Area:	410.241
Solvation:	-32.3966
Coulombic:	-3.2395

Bond Count [?]

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

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.46
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