ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7699920

Chemical ID:

7699920

Name [?]:

None

SMILES [?]:

COc1ccccc1C(=O)Oc2ccc(cc2OC)C(=O)OC

InChi [?]:

InChI=1/C17H16O6/c1-20-13-7-5-4-6-12(13)17(19)23-14-9-8-11(16(18)22-3)10-15(14)21-2/h4-10H,1-3H3

InChi Info:

AuxInfo=1/0/N:1,19,23,6,5,7,4,14,13,16,15,8,3,12,17,20,9,21,10,2,18,22,11/rA:23nCOCCCCCCCOOCCCCCCOCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s18;s15;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₆O₆
All Atoms:	39
Heavy Atoms:	23
Chiral Atoms:	None

ZAP Information [?]

Total:	7.72085
Area:	515.939
Solvation:	-5.17762
Coulombic:	-54.1761

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.02
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