ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7698643

Chemical ID:

7698643

Name [?]:

None

SMILES [?]:

Cc1cccc(c1)OC(=O)c2cccc(c2)OC

InChi [?]:

InChI=1/C15H14O3/c1-11-5-3-8-14(9-11)18-15(16)12-6-4-7-13(10-12)17-2/h3-10H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,18,4,13,3,12,14,5,7,16,2,11,15,6,9,10,17,8/rA:18nCCCCCCCOCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₄O₃
All Atoms:	32
Heavy Atoms:	18
Chiral Atoms:	None

ZAP Information [?]

Total:	8.22752
Area:	440.054
Solvation:	-2.77383
Coulombic:	-28.5576

Bond Count [?]

All:	19
Single:	12
Double:	7
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.88
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