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STOCK1S-11654,,, :Molecular Weight339.47116 [g/mol]Molecular Formula

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摘 要:STOCK1S-11654,,, :Molecular Weight339.47116 [g/mol]Molecular FormulaC22H29NO2XLogP7.1H-Bond Donor1H-Bond Acceptor3Rotatable Bond Count11Tautomer Count3Exact Mass339.219829MonoIsotopic Mass339.219829Topological Polar Surface Area41.8Heavy Atom Count
[Synonyms]
STOCK1S-11654


Properties Computed from Structure:Molecular Weight339.47116 [g/mol]Molecular FormulaC22H29NO2XLogP7.1H-Bond Donor1H-Bond Acceptor3Rotatable Bond Count11Tautomer Count3Exact Mass339.219829MonoIsotopic Mass339.219829Topological Polar Surface Area41.8Heavy Atom Count25Formal Charge0Complexity358Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count0Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1

Descriptors Computed from Structure:IUPAC Name: 2-[(3-nonoxyphenyl)methylideneamino]phenol
Canonical SMILES: CCCCCCCCCOC1=CC=CC(=C1)C=NC2=CC=CC=C2O
InChI: InChI=1/C22H29NO2/c1-2-3-4-5-6-7-10-16-25-20-13-11-12-19(17-20)18-23-21-
14-8-9-15-22(21)24/h8-9,11-15,17-18,24H,2-7,10,16H2,1H3/b23-18+


Compound Info:CID: 1859605  Create Date: 2005-07-13

Similar Compounds: 23 Links


Substance Info:Substances: 4 Links

Category: [for same structure substances]Biological Properties: 1 Link
   DiscoveryGate ( 1 )
SID: 11549578 - External ID: 1859605

Substance Vendors: 2 Links
   Ambinter ( 1 )
SID: 25671280 - External ID: STOCK1S-11654
   ChemSpider ( 1 )
SID: 32981290 - External ID: 1441674

Theoretical Properties: 1 Link
   ChemDB ( 1 )
SID: 5207692 - External ID: 4588341

ASN1DisplaySaveXMLDisplaySaveSDFDisplaySave Compound ID1859605Molecular Weight339.47116 [g/mol]Molecular FormulaC22H29NO2XLogP7.1H-Bond Donor1H-Bond Acceptor3  Links
Chemical Structure Search

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[Structure]
STOCK1S-11654,,,   :Molecular Weight339.47116 [g/mol]Molecular Formula

[ Properties Computed from Structure]
Molecular Weight339.47116 [g/mol]
Molecular FormulaC22H29NO2
XLogP7.1
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count11
Tautomer Count3
Exact Mass339.219829
MonoIsotopic Mass339.219829
Topological Polar Surface Area41.8
Heavy Atom Count25
Formal Charge0
Complexity358
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-[(3-nonoxyphenyl)methylideneamino]phenol
Canonical SMILES: CCCCCCCCCOC1=CC=CC(=C1)C=NC2=CC=CC=C2O
InChI: InChI=1/C22H29NO2/c1-2-3-4-5-6-7-10-16-25-20-13-11-12-19(17-20)18-23-21-
14-8-9-15-22(21)24/h8-9,11-15,17-18,24H,2-7,10,16H2,1H3/b23-18+

 
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