Chemical ID: 4328904

c1ccc(cc1)c2nc(on2)c3cccc(c3)Br
Chemical ID:
4328904
Name [?]:
5-(3-bromophenyl)-3-phenyl-1,2,4-oxadiazole
SMILES [?]:
c1ccc(cc1)c2nc(on2)c3cccc(c3)Br
InChi [?]:
InChI=1/C14H9BrN2O/c15-12-8-4-7-11(9-12)14-16-13(17-18-14)10-5-2-1-3-6-10/h1-9H
InChi Info:
AuxInfo=1/0/N:1,2,6,14,3,5,13,15,17,4,12,16,7,9,18,8,11,10/E:(2,3)(5,6)/rA:18nCCCCCCCNCONCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s9;s12;d13;s14;d15;d12s16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9BrN2O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.90009
Area:441.198
Solvation:-1.12987
Coulombic:-15.9807
Bond Count [?]
All:20
Single:12
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:301.138
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.9
LogP (Chemaxon):4.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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