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497060-55-6

497060-55-6 structural image
Product Name: 3-((2-CHLOROPHENYL)METHYL)-4-PHENYL-1,2,4-TRIAZOLINE-5-THIONE
Formula: C15H12ClN3S
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COMPUTED DESCRIPTORS

Molecular Weight 301.8 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 301.0440463 g/mol
Monoisotopic Mass 301.0440463 g/mol
Topological Polar Surface Area 59.7 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 393
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