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Oprea1_027668,,, :Molecular Weight242.27316 [g/mol]Molecular Formula

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摘 要:Oprea1_027668,,, :Molecular Weight242.27316 [g/mol]Molecular FormulaC14H14N2O2XLogP2.4H-Bond Donor0H-Bond Acceptor4Rotatable Bond Count1Exact Mass242.105528MonoIsotopic Mass242.105528Topological Polar Surface Area36.3Heavy Atom Count18Formal Charge
[Synonyms]
Oprea1_027668


Properties Computed from Structure:Molecular Weight242.27316 [g/mol]Molecular FormulaC14H14N2O2XLogP2.4H-Bond Donor0H-Bond Acceptor4Rotatable Bond Count1Exact Mass242.105528MonoIsotopic Mass242.105528Topological Polar Surface Area36.3Heavy Atom Count18Formal Charge0Complexity312Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count0Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1

Descriptors Computed from Structure:IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-7-yl)-6,7-dihydro-5H-pyrrolo[1,
2-a]imidazole
Canonical SMILES: C1CC2=NC(=CN2C1)C3=CC4=C(C=C3)OCCO4
InChI: InChI=1/C14H14N2O2/c1-2-14-15-11(9-16(14)5-1)10-3-4-12-13(8-10)18-7-6-
17-12/h3-4,8-9H,1-2,5-7H2


Compound Info:CID: 1548595  Create Date: 2005-07-11

Similar Compounds: 32 Links


Substance Info:Substances:
    All: 5 Links
    Same structure: 3 Links
    Mixture: 2 Links

Category: [for same structure substances]Biological Properties: 1 Link
   ChemBank ( 1 )
SID: 47605113 - External ID: Oprea1_027668

Substance Vendors: 1 Link
   ChemSpider ( 1 )
SID: 32248584 - External ID: 1265648

Theoretical Properties: 1 Link
   ChemDB ( 1 )
SID: 4823904 - External ID: 5642891

ASN1DisplaySaveXMLDisplaySaveSDFDisplaySave Compound ID1548595Molecular Weight242.27316 [g/mol]Molecular FormulaC14H14N2O2XLogP2.4H-Bond Donor0H-Bond Acceptor4  Links
Chemical Structure Search

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[Structure]
Oprea1_027668,,,   :Molecular Weight242.27316 [g/mol]Molecular Formula

[ Properties Computed from Structure]
Molecular Weight242.27316 [g/mol]
Molecular FormulaC14H14N2O2
XLogP2.4
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count1
Exact Mass242.105528
MonoIsotopic Mass242.105528
Topological Polar Surface Area36.3
Heavy Atom Count18
Formal Charge0
Complexity312
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-(2,3-dihydro-1,4-benzodioxin-7-yl)-6,7-dihydro-5H-pyrrolo[1,
2-a]imidazole
Canonical SMILES: C1CC2=NC(=CN2C1)C3=CC4=C(C=C3)OCCO4
InChI: InChI=1/C14H14N2O2/c1-2-14-15-11(9-16(14)5-1)10-3-4-12-13(8-10)18-7-6-
17-12/h3-4,8-9H,1-2,5-7H2

 
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