ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7522683

Chemical ID:

7522683

Name [?]:

N-(2,5-difluorophenyl)benzamide

SMILES [?]:

c1ccc(cc1)C(=O)Nc2cc(ccc2F)F

InChi [?]:

InChI=1/C13H9F2NO/c14-10-6-7-11(15)12(8-10)16-13(17)9-4-2-1-3-5-9/h1-8H,(H,16,17)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,13,14,11,4,12,15,10,7,17,16,9,8/E:(2,3)(4,5)/rA:17nCCCCCCCONCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s12;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₉F₂NO
All Atoms:	26
Heavy Atoms:	17
Chiral Atoms:	None

ZAP Information [?]

Total:	6.76784
Area:	390.193
Solvation:	-2.98698
Coulombic:	-30.3574

Bond Count [?]

All:	18
Single:	11
Double:	7
Rotors:	3
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.32
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