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81518-36-7

81518-36-7 structural image
Product Name: 2-(4-Phenyl-5-(propylthio)-4H-1,2,4-triazol-3-yl)phenol
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COMPUTED DESCRIPTORS

Molecular Weight 311.4 g/mol
XLogP3 4.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 311.10923335 g/mol
Monoisotopic Mass 311.10923335 g/mol
Topological Polar Surface Area 76.2 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 338
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes