ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7698563

Chemical ID:

7698563

Name [?]:

None

SMILES [?]:

COc1ccccc1OC(=O)c2cccc(c2)F

InChi [?]:

InChI=1/C14H11FO3/c1-17-12-7-2-3-8-13(12)18-14(16)10-5-4-6-11(15)9-10/h2-9H,1H3

InChi Info:

AuxInfo=1/0/N:1,5,6,14,13,15,4,7,17,12,16,3,8,10,18,11,2,9/rA:18nCOCCCCCCOCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₁FO₃
All Atoms:	29
Heavy Atoms:	18
Chiral Atoms:	None

ZAP Information [?]

Total:	6.91747
Area:	417.861
Solvation:	-3.52906
Coulombic:	-32.5786

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:	3.33
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