ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7699092

Chemical ID:

7699092

Name [?]:

None

SMILES [?]:

COc1cc(c(cc1OC)OC)C(=O)Oc2ccccc2O

InChi [?]:

InChI=1/C16H16O6/c1-19-13-9-15(21-3)14(20-2)8-10(13)16(18)22-12-7-5-4-6-11(12)17/h4-9,17H,1-3H3

InChi Info:

AuxInfo=1/0/N:12,1,10,19,18,20,17,4,7,5,21,16,6,3,8,13,22,14,11,2,9,15/rA:22nCOCCCCCCOCOCCOOCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s5;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₆O₆
All Atoms:	38
Heavy Atoms:	22
Chiral Atoms:	None

ZAP Information [?]

Total:	5.23878
Area:	488.393
Solvation:	-6.97104
Coulombic:	-56.181

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.6
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