ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7721791

Chemical ID:

7721791

Name [?]:

None

SMILES [?]:

CCN(CC)CC(COc1ccccc1Cl)O

InChi [?]:

InChI=1/C13H20ClNO2/c1-3-15(4-2)9-11(16)10-17-13-8-6-5-7-12(13)14/h5-8,11,16H,3-4,9-10H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,5,2,4,13,12,14,11,6,8,7,15,10,16,3,17,9/E:(1,2)(3,4)/rA:17cCCNCCCCCOCCCCCCClO/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s7;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₂₀ClNO₂
All Atoms:	37
Heavy Atoms:	17
Chiral Atoms:	None

ZAP Information [?]

Total:	7.30327
Area:	464.766
Solvation:	-4.31587
Coulombic:	-30.1527

Bond Count [?]

All:	17
Single:	14
Double:	3
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.59
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

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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