CID 19967 - PubChem

Compound Summary (CID 19967)

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Compound Information

Properties and Descriptors

Old Version Substance Information

2D Structure
3D Conformer

Compound Information

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CID 19967

Create Date: 2005-08-08

Suppressed Compound

Properties and Descriptors

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Properties
Molecular Weight		427.55898 [g/mol]
Molecular Formula		C₁₉H₂₂KN₃O₄S
H-Bond Donor		1
H-Bond Acceptor		6
Rotatable Bond Count		2

Exact Mass		427.096809
MonoIsotopic Mass		427.096809
Topological Polar Surface Area		118
Heavy Atom Count		28
Formal Charge		0
Complexity		683
Isotope Atom Count		0
Defined Atom Stereocenter Count		0
Undefined Atom Stereocenter Count		4
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 162822, Version: 1, Same
SID 162822, Version: 2, Same