CID 5373147
Chemical Structure Depiction
(4E)-2-hydroxy-4-[[2-(4-hydroxyphenyl)ethylamino]methylidene]cyclohexa-2,5-dien-1-one
InChI=1S/C15H15NO3/c17-13-4-1-11(2-5-13)7-8-16-10-12-3-6-14(18)15(19)9-12/h1-6,9-10,16-17,19H,7-8H2/b12-10+
NAFBNXVNLBKTJS-ZRDIBKRKSA-N
C1=CC(=CC=C1CCN/C=C/2\C=CC(=O)C(=C2)O)O
C15H15NO3
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Reference
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Molecular Weight
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257.28 g/mol
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XLogP3-AA
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2.3
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Hydrogen Bond Donor Count
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3
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Hydrogen Bond Acceptor Count
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4
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Rotatable Bond Count
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4
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Exact Mass
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257.10519334 g/mol
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Monoisotopic Mass
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257.10519334 g/mol
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Topological Polar Surface Area
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69.6 A^2
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Heavy Atom Count
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19
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Formal Charge
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0
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Complexity
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415
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Isotope Atom Count
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0
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Defined Atom Stereocenter Count
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0
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Undefined Atom Stereocenter Count
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0
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Defined Bond Stereocenter Count
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1
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Undefined Bond Stereocenter Count
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0
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Covalently-Bonded Unit Count
Property Value
1
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Compound Is Canonicalized
Property Value
Yes
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