ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7237311

Chemical ID:

7237311

Name [?]:

6-cyclohexyl-4-methyl-1-oxido-pyridin-2-one

SMILES [?]:

Cc1cc(n(c(=O)c1)[O-])C2CCCCC2

InChi [?]:

InChI=1/C12H16NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3/q-1

InChi Info:

AuxInfo=1/0/N:1,13,12,14,11,15,3,8,2,10,4,6,5,7,9/E:(3,4)(5,6)/CRV:15-1/rA:15nCCCCNCOCO-CCCCCC/rB:s1;s2;d3;s4;s5;d6;d2s6;s5;s4;s10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₆NO_2-
All Atoms:	31
Heavy Atoms:	15
Chiral Atoms:	None

ZAP Information [?]

Total:	-35.0611
Area:	372.947
Solvation:	-44.3848
Coulombic:	12.1951

Bond Count [?]

All:	16
Single:	13
Double:	3
Rotors:	1
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.28
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