ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 4194734

Chemical ID:

4194734

Name [?]:

5-(2-fluorophenyl)-3-phenyl-1,2,4-oxadiazole

SMILES [?]:

c1ccc(cc1)c2nc(on2)c3ccccc3F

InChi [?]:

InChI=1/C14H9FN2O/c15-12-9-5-4-8-11(12)14-16-13(17-18-14)10-6-2-1-3-7-10/h1-9H

InChi Info:

AuxInfo=1/0/N:1,2,6,14,15,3,5,13,16,4,12,17,7,9,18,8,11,10/E:(2,3)(6,7)/rA:18nCCCCCCCNCONCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s9;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₉FN₂O
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	7.9417
Area:	413.458
Solvation:	-2.39474
Coulombic:	-18.6641

Bond Count [?]

All:	20
Single:	12
Double:	8
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	240.233
H-Bond Donors:	0
H-Bond Acceptors:	0
XLogP:	4.26
LogP (Chemaxon):	4.22

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