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Chemical ID: 7530536

Chemical ID:

7530536

Name [?]:

3-(3-bromophenyl)-5-(3,4-dimethylphenyl)-1,2,4-oxadiazole

SMILES [?]:

Cc1ccc(cc1C)c2nc(no2)c3cccc(c3)Br

InChi [?]:

InChI=1/C16H13BrN2O/c1-10-6-7-13(8-11(10)2)16-18-15(19-20-16)12-4-3-5-14(17)9-12/h3-9H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,8,16,15,17,3,4,6,19,2,7,14,5,18,11,9,20,10,12,13/rA:20nCCCCCCCCCNCNOCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s10;d11;s9s12;s11;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₃BrN₂O
All Atoms:	33
Heavy Atoms:	20
Chiral Atoms:	None

ZAP Information [?]

Total:	10.9001
Area:	481.529
Solvation:	-1.13813
Coulombic:	-15.4942

Bond Count [?]

All:	22
Single:	14
Double:	8
Rotors:	2
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.78
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