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MLS000042636,STK206430,ZINC02432262,SMR000048092, 2-naphthalen-1-yl-[1

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摘 要:MLS000042636,STK206430,ZINC02432262,SMR000048092, 2-naphthalen-1-yl-[1,3]oxazolo[4,5-b]pyridine,Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2C3=NC4=C(O3)C=CC=N4,InChI: InChI=1/C16H10N2O/c1-2-7-12-11(5-1)6-3-8-13(12)16-18-15-14(19-16)9-4-10-,17-15/h1-10H,Mo
[Synonyms]
MLS000042636
STK206430
ZINC02432262
SMR000048092

[Structure]
MLS000042636,STK206430,ZINC02432262,SMR000048092, 2-naphthalen-1-yl-[1

[ Properties Computed from Structure]
Molecular Weight246.2634 [g/mol]
Molecular FormulaC16H10N2O
XLogP3.9
H-Bond Donor0
H-Bond Acceptor3
Rotatable Bond Count1
Exact Mass246.079313
MonoIsotopic Mass246.079313
Topological Polar Surface Area38.9
Heavy Atom Count19
Formal Charge0
Complexity322
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2-naphthalen-1-yl-[1,3]oxazolo[4,5-b]pyridine
Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2C3=NC4=C(O3)C=CC=N4
InChI: InChI=1/C16H10N2O/c1-2-7-12-11(5-1)6-3-8-13(12)16-18-15-14(19-16)9-4-10-
17-15/h1-10H

 
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