CID 49269 - PubChem

Compound Summary (CID 49269)

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Compound Information

Properties and Descriptors

Old Version Substance Information

2D Structure
3D Conformer

Compound Information

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CID 49269

Create Date: 2005-08-08

Suppressed Compound

Properties and Descriptors

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Properties
Molecular Weight		322.398789 [g/mol]
Molecular Formula		C₁₄H₂₃N₂NaO₃S
H-Bond Donor		1
H-Bond Acceptor		4
Rotatable Bond Count		8

Exact Mass		322.132708
MonoIsotopic Mass		322.132708
Topological Polar Surface Area		107
Heavy Atom Count		21
Formal Charge		0
Complexity		398
Isotope Atom Count		0
Defined Atom Stereocenter Count		0
Undefined Atom Stereocenter Count		2
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 188040, Version: 1, Same
SID 188040, Version: 2, Same