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869354-61-0

869354-61-0 structural image
Product Name: N1-(4-(T-BUTYL)BENZOYL)-D-(+)BIOTIN 2-NITROPHENYL ESTER
Formula: C27H31N3O6S
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COMPUTED DESCRIPTORS

Molecular Weight 525.6 g/mol
XLogP3 5.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 9
Exact Mass 525.19335689 g/mol
Monoisotopic Mass 525.19335689 g/mol
Topological Polar Surface Area 147 Ų
Heavy Atom Count 37
Formal Charge 0
Complexity 863
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes