ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7698625

Chemical ID:

7698625

Name [?]:

None

SMILES [?]:

COc1ccc(cc1OC)C(=O)OC2CCCCC2

InChi [?]:

InChI=1/C15H20O4/c1-17-13-9-8-11(10-14(13)18-2)15(16)19-12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,10,17,16,18,15,19,5,4,7,6,14,3,8,11,12,2,9,13/E:(4,5)(6,7)/rA:19nCOCCCCCCOCCOOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s11;s13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₀O₄
All Atoms:	39
Heavy Atoms:	19
Chiral Atoms:	None

ZAP Information [?]

Total:	7.07535
Area:	463.795
Solvation:	-4.51952
Coulombic:	-34.8226

Bond Count [?]

All:	20
Single:	16
Double:	4
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.35
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