ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7695691

Chemical ID:

7695691

Name [?]:

None

SMILES [?]:

CCOC(=O)c1cc(cc(c1)OCc2ccccc2)OC

InChi [?]:

InChI=1/C17H18O4/c1-3-20-17(18)14-9-15(19-2)11-16(10-14)21-12-13-7-5-4-6-8-13/h4-11H,3,12H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,21,2,17,16,18,15,19,7,11,9,13,14,6,8,10,4,5,20,3,12/E:(5,6)(7,8)/rA:21nCCOCOCCCCCCOCCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s10;s12;s13;s14;d15;s16;d17;d14s18;s8;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₈O₄
All Atoms:	39
Heavy Atoms:	21
Chiral Atoms:	None

ZAP Information [?]

Total:	8.46778
Area:	512.534
Solvation:	-4.34558
Coulombic:	-35.4452

Bond Count [?]

All:	22
Single:	15
Double:	7
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.92
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