ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7523417

Chemical ID:

7523417

Name [?]:

(4-fluorophenyl)methyl 4-phenylbenzoate

SMILES [?]:

c1ccc(cc1)c2ccc(cc2)C(=O)OCc3ccc(cc3)F

InChi [?]:

InChI=1/C20H15FO2/c21-19-12-6-15(7-13-19)14-23-20(22)18-10-8-17(9-11-18)16-4-2-1-3-5-16/h1-13H,14H2

InChi Info:

AuxInfo=1/0/N:1,2,6,3,5,18,22,8,12,9,11,19,21,16,17,4,7,10,20,13,23,14,15/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:23nCCCCCCCCCCCCCOOCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₅FO₂
All Atoms:	38
Heavy Atoms:	23
Chiral Atoms:	None

ZAP Information [?]

Total:	10.2279
Area:	523.978
Solvation:	-2.87155
Coulombic:	-27.9775

Bond Count [?]

All:	25
Single:	15
Double:	10
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.77
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

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Chemical Mix	Source	External ID	Descriptor	Value