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STK034445,ZINC00341487,BAS 00333481,3-(4-Chloro-phenyl)-5-p-tolyl-[1,2

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摘 要:STK034445,ZINC00341487,BAS 00333481,3-(4-Chloro-phenyl)-5-p-tolyl-[1,2,4]oxadiazole, 3-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole,Canonical SMILES: CC1=CC=C(C=C1)C2=NC(=NO2)C3=CC=C(C=C3)Cl,InChI: InChI=1/C15H11ClN2O/c1-10-2-4-12(5-3-10)15-1
[Synonyms]
STK034445
ZINC00341487
BAS 00333481
3-(4-Chloro-phenyl)-5-p-tolyl-[1,2,4]oxadiazole

[Structure]
STK034445,ZINC00341487,BAS 00333481,3-(4-Chloro-phenyl)-5-p-tolyl-[1,2

[ Properties Computed from Structure]
Molecular Weight270.71364 [g/mol]
Molecular FormulaC15H11ClN2O
XLogP5.2
H-Bond Donor0
H-Bond Acceptor3
Rotatable Bond Count2
Exact Mass270.055991
MonoIsotopic Mass270.055991
Topological Polar Surface Area38.9
Heavy Atom Count19
Formal Charge0
Complexity286
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 3-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
Canonical SMILES: CC1=CC=C(C=C1)C2=NC(=NO2)C3=CC=C(C=C3)Cl
InChI: InChI=1/C15H11ClN2O/c1-10-2-4-12(5-3-10)15-17-14(18-19-15)11-6-8-13(16)
9-7-11/h2-9H,1H3

 
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