ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 7650013

COc1ccc2c(c1)Oc3cc(ccc3C24c5ccccc5C(=O)O4)OC

Chemical ID:

7650013

Name [?]:

None

SMILES [?]:

COc1ccc2c(c1)Oc3cc(ccc3C24c5ccccc5C(=O)O4)OC

InChi [?]:

InChI=1/C22H16O5/c1-24-13-7-9-17-19(11-13)26-20-12-14(25-2)8-10-18(20)22(17)16-6-4-3-5-15(16)21(23)27-22/h3-12H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,27,20,19,21,18,4,13,5,14,8,11,3,12,22,17,6,15,7,10,23,16,24,2,26,9,25/E:(1,2)(7,8)(9,10)(11,12)(13,14)(17,18)(19,20)(24,25)/rA:27nCOCCCCCCOCCCCCCCCCCCCCCOOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;d11;s12;d13;d10s14;s6s15;s16;s17;d18;s19;d20;d17s21;s22;d23;s16s23;s12;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₆O₅
All Atoms:	43
Heavy Atoms:	27
Chiral Atoms:	None

ZAP Information [?]

Total:	7.67971
Area:	531.122
Solvation:	-5.59833
Coulombic:	-43.2234

Bond Count [?]

All:	31
Single:	21
Double:	10
Rotors:	2
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.48
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