ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7722150

Chemical ID:

7722150

Name [?]:

None

SMILES [?]:

CCN1CCN(CC1)CC(COc2ccccc2C(=O)C)O

InChi [?]:

InChI=1/C17H26N2O3/c1-3-18-8-10-19(11-9-18)12-15(21)13-22-17-7-5-4-6-16(17)14(2)20/h4-7,15,21H,3,8-13H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,21,2,16,15,17,14,4,8,5,7,9,11,19,10,18,13,3,6,20,22,12/E:(8,9)(10,11)/rA:22cCCNCCNCCCCCOCCCCCCCOCO/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;d19;s19;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₆N₂O₃
All Atoms:	48
Heavy Atoms:	22
Chiral Atoms:	None

ZAP Information [?]

Total:	6.15674
Area:	528.687
Solvation:	-7.06045
Coulombic:	-38.7827

Bond Count [?]

All:	23
Single:	19
Double:	4
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.02
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