ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 7699461

Chemical ID:

7699461

Name [?]:

None

SMILES [?]:

COc1ccccc1OC(=O)c2cc(c(cc2OC)OC)OC

InChi [?]:

InChI=1/C17H18O6/c1-19-12-7-5-6-8-13(12)23-17(18)11-9-15(21-3)16(22-4)10-14(11)20-2/h5-10H,1-4H3

InChi Info:

AuxInfo=1/0/N:1,19,23,21,5,6,4,7,13,16,12,3,8,17,14,15,10,11,2,18,22,20,9/rA:23nCOCCCCCCOCOCCCCCCOCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;s15;s20;s14;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₈O₆
All Atoms:	41
Heavy Atoms:	23
Chiral Atoms:	None

ZAP Information [?]

Total:	5.1811
Area:	508.538
Solvation:	-7.53236
Coulombic:	-47.3542

Bond Count [?]

All:	24
Single:	17
Double:	7
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.65
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

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