ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7697949

Chemical ID:

7697949

Name [?]:

None

SMILES [?]:

Cc1ccc(cc1)OC(C)C(=O)NC2CCCCC2

InChi [?]:

InChI=1/C16H23NO2/c1-12-8-10-15(11-9-12)19-13(2)16(18)17-14-6-4-3-5-7-14/h8-11,13-14H,3-7H2,1-2H3,(H,17,18)

InChi Info:

AuxInfo=1/1/N:1,10,17,16,18,15,19,3,7,4,6,2,9,14,5,11,13,12,8/E:(4,5)(6,7)(8,9)(10,11)/rA:19cCCCCCCCOCCCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s9;d11;s11;s13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₃NO₂
All Atoms:	42
Heavy Atoms:	19
Chiral Atoms:	None

ZAP Information [?]

Total:	8.68386
Area:	474.705
Solvation:	-3.18377
Coulombic:	-30.7386

Bond Count [?]

All:	20
Single:	16
Double:	4
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.9
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