ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7668096

Chemical ID:

7668096

Name [?]:

None

SMILES [?]:

COc1ccc(cc1)OCc2cccc(c2)C(=O)O

InChi [?]:

InChI=1/C15H14O4/c1-18-13-5-7-14(8-6-13)19-10-11-3-2-4-12(9-11)15(16)17/h2-9H,10H2,1H3,(H,16,17)

InChi Info:

AuxInfo=1/1/N:1,13,12,14,4,8,5,7,16,10,11,15,3,6,17,18,19,2,9/E:(5,6)(7,8)(16,17)/rA:19nCOCCCCCCOCCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s13;d14;d11s15;s15;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₄O₄
All Atoms:	33
Heavy Atoms:	19
Chiral Atoms:	None

ZAP Information [?]

Total:	7.23561
Area:	460.641
Solvation:	-4.28042
Coulombic:	-43.5082

Bond Count [?]

All:	20
Single:	13
Double:	7
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.18
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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