CID 119531 - PubChem

Compound Summary (CID 119531)

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Compound Information

Properties and Descriptors

Old Version Substance Information

2D Structure
3D Conformer

Compound Information

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CID 119531

Create Date: 2005-07-19

Suppressed Compound

Properties and Descriptors

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Properties
Molecular Weight		416.382389 [g/mol]
Molecular Formula		C₂₀H₁₃N₂NaO₅S
H-Bond Donor		1
H-Bond Acceptor		6
Rotatable Bond Count		3

Exact Mass		416.044287
MonoIsotopic Mass		416.044287
Topological Polar Surface Area		115
Heavy Atom Count		29
Formal Charge		0
Complexity		720
Isotope Atom Count		0
Defined Atom Stereocenter Count		0
Undefined Atom Stereocenter Count		0
Defined Bond Stereocenter Count		0
Undefined Bond Stereocenter Count		0
Covalently-Bonded Unit Count		2

Descriptors
IUPAC Name
Canonical SMILES
Isomeric SMILES

Old Version Substance Information

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SID 696228, Version: 1, Same
SID 696228, Version: 2, Same
SID 10238530, Version: 1, Same
SID 10238530, Version: 2, Same