ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7709925

Chemical ID:

7709925

Name [?]:

None

SMILES [?]:

CCN(CC)CC(COc1ccc(cc1)c2ccccc2)O

InChi [?]:

InChI=1/C19H25NO2/c1-3-20(4-2)14-18(21)15-22-19-12-10-17(11-13-19)16-8-6-5-7-9-16/h5-13,18,21H,3-4,14-15H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,5,2,4,19,18,20,17,21,12,14,11,15,6,8,16,13,7,10,3,22,9/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)/rA:22cCCNCCCCCOCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s16;d17;s18;d19;d16s20;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₅NO₂
All Atoms:	47
Heavy Atoms:	22
Chiral Atoms:	None

ZAP Information [?]

Total:	8.87257
Area:	545.183
Solvation:	-4.75702
Coulombic:	-30.8968

Bond Count [?]

All:	23
Single:	17
Double:	6
Rotors:	8
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

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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