Free Chemical Databases
-
[Synonyms]
Oprea1_468101
[Structure]
[ Properties Computed from Structure]
Molecular Weight 239.26922 [g/mol] Molecular Formula C15H13NO2 XLogP 3.5 H-Bond Donor 1 H-Bond Acceptor 3 Rotatable Bond Count 1 Tautomer Count 2 Exact Mass 239.094629 MonoIsotopic Mass 239.094629 Topological Polar Surface Area 41.8 Heavy Atom Count 18 Formal Charge 0 Complexity 310 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 1 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: N-(2-phenylchroman-4-ylidene)hydroxylamine
Canonical SMILES: C1C(OC2=CC=CC=C2C1=NO)C3=CC=CC=C3
InChI: InChI=1/C15H13NO2/c17-16-13-10-15(11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)
14/h1-9,15,17H,10H2
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