ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7676184

Chemical ID:

7676184

Name [?]:

None

SMILES [?]:

CCOc1cc(ccc1OC(C)C(=O)OCC)CNC

InChi [?]:

InChI=1/C15H23NO4/c1-5-18-14-9-12(10-16-4)7-8-13(14)20-11(3)15(17)19-6-2/h7-9,11,16H,5-6,10H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,17,12,20,2,16,7,8,5,18,11,6,9,4,13,19,14,3,15,10/rA:20cCCOCCCCCCOCCCOOCCCNC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s11;d13;s13;s15;s16;s6;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₃NO₄
All Atoms:	43
Heavy Atoms:	20
Chiral Atoms:	None

ZAP Information [?]

Total:	7.35088
Area:	516.755
Solvation:	-5.56798
Coulombic:	-42.8322

Bond Count [?]

All:	20
Single:	16
Double:	4
Rotors:	9
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.17
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