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STK093790,,, :Molecular Weight312.363 [g/mol]Molecular FormulaC18H20

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摘 要:STK093790,,, :Molecular Weight312.363 [g/mol]Molecular FormulaC18H20N2O3XLogP4.5H-Bond Donor1H-Bond Acceptor3Rotatable Bond Count5Tautomer Count2Exact Mass312.147393MonoIsotopic Mass312.147393Topological Polar Surface Area72.2Heavy Atom Count23Form
[Synonyms]
STK093790


Properties Computed from Structure:Molecular Weight312.363 [g/mol]Molecular FormulaC18H20N2O3XLogP4.5H-Bond Donor1H-Bond Acceptor3Rotatable Bond Count5Tautomer Count2Exact Mass312.147393MonoIsotopic Mass312.147393Topological Polar Surface Area72.2Heavy Atom Count23Formal Charge0Complexity408Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count1Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1

Descriptors Computed from Structure:IUPAC Name: N-(2-butan-2-ylphenyl)-2-(2-nitrophenyl)acetamide
Canonical SMILES: CCC(C)C1=CC=CC=C1NC(=O)CC2=CC=CC=C2[N+](=O)[O-]
InChI: InChI=1/C18H20N2O3/c1-3-13(2)15-9-5-6-10-16(15)19-18(21)12-14-8-4-7-11-
17(14)20(22)23/h4-11,13H,3,12H2,1-2H3,(H,19,21)/f/h19H


Compound Info:CID: 2915576  Create Date: 2005-07-29
Related Compounds:
Same, Connectivity: 3 Links

Similar Compounds: 541 Links


Substance Info:Substances: 5 Links

Category: [for same structure substances]Biological Properties: 1 Link
   DiscoveryGate ( 1 )
SID: 8919373 - External ID: 2915576

Substance Vendors: 3 Links
   Ambinter ( 1 )
SID: 26091884 - External ID: STK093790
   ChemBridge ( 1 )
SID: 3516331 - External ID: 6834929
   ChemSpider ( 1 )
SID: 34483885 - External ID: 2189247

Theoretical Properties: 1 Link
   ChemDB ( 1 )
SID: 7719588 - External ID: 4212793

ASN1DisplaySaveXMLDisplaySaveSDFDisplaySave Compound ID2915576Molecular Weight312.363 [g/mol]Molecular FormulaC18H20N2O3XLogP4.5H-Bond Donor1H-Bond Acceptor3  Links
Chemical Structure Search

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[Structure]
STK093790,,,   :Molecular Weight312.363 [g/mol]Molecular FormulaC18H20

[ Properties Computed from Structure]
Molecular Weight312.363 [g/mol]
Molecular FormulaC18H20N2O3
XLogP4.5
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count5
Tautomer Count2
Exact Mass312.147393
MonoIsotopic Mass312.147393
Topological Polar Surface Area72.2
Heavy Atom Count23
Formal Charge0
Complexity408
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-(2-butan-2-ylphenyl)-2-(2-nitrophenyl)acetamide
Canonical SMILES: CCC(C)C1=CC=CC=C1NC(=O)CC2=CC=CC=C2[N+](=O)[O-]
InChI: InChI=1/C18H20N2O3/c1-3-13(2)15-9-5-6-10-16(15)19-18(21)12-14-8-4-7-11-
17(14)20(22)23/h4-11,13H,3,12H2,1-2H3,(H,19,21)/f/h19H

 
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