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861206-18-0

861206-18-0 structural image
Product Name: 2-(CYCLOPROPYLMETHYL)-4-(4-METHOXYPHENYL)-5-METHYL-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE
Formula: C14H17N3O2
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 23.6 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 259.30 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 259.132076794 g/mol
Monoisotopic Mass 259.132076794 g/mol
Topological Polar Surface Area 45.1 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 384
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

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