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Chemical ID: 4783084

Chemical ID:

4783084

Name [?]:

5-(2-chloro-4-fluoro-phenyl)-3-(p-tolyl)-1,2,4-oxadiazole

SMILES [?]:

Cc1ccc(cc1)c2nc(on2)c3ccc(cc3Cl)F

InChi [?]:

InChI=1/C15H10ClFN2O/c1-9-2-4-10(5-3-9)14-18-15(20-19-14)12-7-6-11(17)8-13(12)16/h2-8H,1H3

InChi Info:

AuxInfo=1/0/N:1,3,7,4,6,15,14,17,2,5,16,13,18,8,10,19,20,9,12,11/E:(2,3)(4,5)/rA:20nCCCCCCCCNCONCCCCCCClF/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;d14;s15;d16;d13s17;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₀ClFN₂O
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	9.13382
Area:	457.734
Solvation:	-2.30953
Coulombic:	-17.9744

Bond Count [?]

All:	22
Single:	14
Double:	8
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	288.704
H-Bond Donors:	0
H-Bond Acceptors:	0
XLogP:	5.32
LogP (Chemaxon):	5.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value