3-hydroxy-2-phenyl-4-(1,2,4-triazol-4-yliminomethyl)isoquinolin-1-one
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3-hydroxy-2-phenyl-4-(1,2,4-triazol-4-yliminomethyl)isoquinolin-1-one
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CAS No:
307335-99-5
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Formula:
C18H13N5O2
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Chemical Name:
3-hydroxy-2-phenyl-4-(1,2,4-triazol-4-yliminomethyl)isoquinolin-1-one
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Synonyms:
ZINC5446066;ZINC103884996;Z56770341;2-phenyl-4-{[(4H-1,2,4-triazol-4-yl)amino]methylidene}-1,2,3,4-tetrahydroisoquinoline-1,3-dione;307335-99-5
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CAS No:
3-hydroxy-2-phenyl-4-(1,2,4-triazol-4-yliminomethyl)isoquinolin-1-one Basic Attributes
331.3 g/mol
331.10692467 g/mol
Computed Properties
Molecular Weight:331.3
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:331.10692467
Monoisotopic Mass:331.10692467
Topological Polar Surface Area:83.6
Heavy Atom Count:25
Complexity:564
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 3-hydroxy-2-phenyl-4-(1,2,4-triazol-4-yliminomethyl)isoquinolin-1-one
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