ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 7721787

Chemical ID:

7721787

Name [?]:

None

SMILES [?]:

CC1CCCC(N1CC(COc2ccccc2Cl)O)C

InChi [?]:

InChI=1/C16H24ClNO2/c1-12-6-5-7-13(2)18(12)10-14(19)11-20-16-9-4-3-8-15(16)17/h3-4,8-9,12-14,19H,5-7,10-11H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,20,15,14,4,3,5,16,13,8,10,2,6,9,17,12,18,7,19,11/E:(1,2)(6,7)(12,13)/rA:20cCCCCCCNCCCOCCCCCCClOC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s9;s6;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₄ClNO₂
All Atoms:	44
Heavy Atoms:	20
Chiral Atoms:	None

ZAP Information [?]

Total:	7.83535
Area:	495.581
Solvation:	-4.55417
Coulombic:	-30.0238

Bond Count [?]

All:	21
Single:	18
Double:	3
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.52
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