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Chemical ID: 4569327

COc1ccc2c(c1)c(=O)oc3c2cc4c(c3)occ4c5ccc(cc5)c6ccccc6

Chemical ID:

4569327

Name [?]:

None

SMILES [?]:

COc1ccc2c(c1)c(=O)oc3c2cc4c(c3)occ4c5ccc(cc5)c6ccccc6

InChi [?]:

InChI=1/C28H18O4/c1-30-20-11-12-21-22-14-23-25(16-31-26(23)15-27(22)32-28(29)24(21)13-20)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-16H,1H3

InChi Info:

AuxInfo=1/0/N:1,30,29,31,28,32,23,25,22,26,4,5,8,14,17,19,27,24,21,3,6,13,15,7,20,16,12,9,10,2,18,11/E:(3,4)(5,6)(7,8)(9,10)/rA:32nCOCCCCCCCOOCCCCCCOCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;s6s12;d13;s14;d15;d12s16;s16;s18;s15d19;s20;s21;d22;s23;d24;d21s25;s24;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₁₈O₄
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	11.1894
Area:	637.892
Solvation:	-4.7579
Coulombic:	-36.1455

Bond Count [?]

All:	37
Single:	23
Double:	14
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	418.44
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	7.2
LogP (Chemaxon):	6.81

Name Annotations

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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