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NSC366596 N-(4-amino-5-oxo-7,8-dihydro-6H-naphthalen-2-yl)acetamide,Ca

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摘 要:NSC366596 N-(4-amino-5-oxo-7,8-dihydro-6H-naphthalen-2-yl)acetamide,Canonical SMILES: CC(=O)NC1=CC(=C2C(=C1)CCCC2=O)N,InChI: InChI=1/C12H14N2O2/c1-7(15)14-9-5-8-3-2-4-11(16)12(8)10(13)6-9/h5-6H,,2-4,13H2,1H3,(H,14,15)/f/h14H,Molecular Weight218.25176
[Synonyms]
NSC366596
[Structure]
NSC366596 N-(4-amino-5-oxo-7,8-dihydro-6H-naphthalen-2-yl)acetamide,Ca

[ Properties Computed from Structure]
Molecular Weight218.25176 [g/mol]
Molecular FormulaC12H14N2O2
XLogP0.5
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count1
Tautomer Count64
Exact Mass218.105528
MonoIsotopic Mass218.105528
Topological Polar Surface Area72.2
Heavy Atom Count16
Formal Charge0
Complexity303
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: N-(4-amino-5-oxo-7,8-dihydro-6H-naphthalen-2-yl)acetamide
Canonical SMILES: CC(=O)NC1=CC(=C2C(=C1)CCCC2=O)N
InChI: InChI=1/C12H14N2O2/c1-7(15)14-9-5-8-3-2-4-11(16)12(8)10(13)6-9/h5-6H,
2-4,13H2,1H3,(H,14,15)/f/h14H

 
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