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CBDivE_005603,,, :Molecular Weight564.5018 [g/mol]Molecular FormulaC

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摘 要:CBDivE_005603,,, :Molecular Weight564.5018 [g/mol]Molecular FormulaC30H20N4O8XLogP3.1H-Bond Donor0H-Bond Acceptor8Rotatable Bond Count3Exact Mass564.128114MonoIsotopic Mass564.128114Topological Polar Surface Area161Heavy Atom Count42Formal Charge0C
[Synonyms]
CBDivE_005603


Properties Computed from Structure:Molecular Weight564.5018 [g/mol]Molecular FormulaC30H20N4O8XLogP3.1H-Bond Donor0H-Bond Acceptor8Rotatable Bond Count3Exact Mass564.128114MonoIsotopic Mass564.128114Topological Polar Surface Area161Heavy Atom Count42Formal Charge0Complexity1190Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count4Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1

Descriptors Computed from Structure:Canonical SMILES: C1=CC=C(C=C1)C23C=CC(C4C2C(=O)N(C4=O)C5=CC=CC=C5[N+](=O)[O-])C6C3C(=O)N
(C6=O)C7=CC=CC=C7[N+](=O)[O-]
InChI: InChI=1/C30H20N4O8/c35-26-22-17-14-15-30(16-8-2-1-3-9-16,
24(22)28(37)31(26)18-10-4-6-12-20(18)33(39)40)25-23(17)27(36)32(29(25)
38)19-11-5-7-13-21(19)34(41)42/h1-15,17,22-25H


Compound Info:CID: 2829190  Create Date: 2005-07-28
Related Compounds:
Same, Connectivity: 5 Links

Similar Compounds: 15 Links


Substance Info:Substances: 5 Links

Category: [for same structure substances]Biological Properties: 2 Links
   ChemBank ( 1 )
SID: 11134541 - External ID: CBDivE_005603
   DiscoveryGate ( 1 )
SID: 8350082 - External ID: 2829190

Substance Vendors: 2 Links
   ChemBridge ( 1 )
SID: 3294246 - External ID: 5133498
   ChemSpider ( 1 )
SID: 40221827 - External ID: 2107070

Theoretical Properties: 1 Link
   ChemDB ( 1 )
SID: 5200803 - External ID: 4264696

ASN1DisplaySaveXMLDisplaySaveSDFDisplaySave Compound ID2829190Molecular Weight564.5018 [g/mol]Molecular FormulaC30H20N4O8XLogP3.1H-Bond Donor0H-Bond Acceptor8  Links
Chemical Structure Search

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[Structure]
CBDivE_005603,,,   :Molecular Weight564.5018 [g/mol]Molecular FormulaC

[ Properties Computed from Structure]
Molecular Weight564.5018 [g/mol]
Molecular FormulaC30H20N4O8
XLogP3.1
H-Bond Donor0
H-Bond Acceptor8
Rotatable Bond Count3
Exact Mass564.128114
MonoIsotopic Mass564.128114
Topological Polar Surface Area161
Heavy Atom Count42
Formal Charge0
Complexity1190
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count4
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]

 
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