ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7697246

Chemical ID:

7697246

Name [?]:

None

SMILES [?]:

CCCCC(CC)C(=O)Nc1ccc(cc1)O

InChi [?]:

InChI=1/C14H21NO2/c1-3-5-6-11(4-2)14(17)15-12-7-9-13(16)10-8-12/h7-11,16H,3-6H2,1-2H3,(H,15,17)

InChi Info:

AuxInfo=1/1/N:1,7,2,6,3,4,12,16,13,15,5,11,14,8,10,17,9/E:(7,8)(9,10)/rA:17cCCCCCCCCONCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₂₁NO₂
All Atoms:	38
Heavy Atoms:	17
Chiral Atoms:	None

ZAP Information [?]

Total:	8.67194
Area:	450.477
Solvation:	-2.58997
Coulombic:	-37.616

Bond Count [?]

All:	17
Single:	13
Double:	4
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.27
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

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

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