CID 25244640 - PubChem

Compound Summary (CID 25244640)

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Compound Information

Properties and Descriptors

Old Version Substance Information

2D Structure
3D Conformer

Compound Information

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CID 25244640

Create Date: 2009-05-14

Suppressed Compound

Properties and Descriptors

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Properties
Molecular Weight		614.87712 [g/mol]
Molecular Formula		C₃₂H₅₈N₂O₇S
XLogP3-AA		2.9
H-Bond Donor		4
H-Bond Acceptor		7
Rotatable Bond Count		11

Exact Mass		614.396473
MonoIsotopic Mass		614.396473
Topological Polar Surface Area		155
Heavy Atom Count		42
Formal Charge		0
Complexity		1030
Isotope Atom Count		0
Defined Atom Stereocenter Count		7
Undefined Atom Stereocenter Count		4
Defined Bond Stereocenter Count		0
Undefined Bond Stereocenter Count		0
Covalently-Bonded Unit Count		1

Feature 3D Acceptor Count		7
Feature 3D Donor Count		4
Feature 3D Anion Count		1
Feature 3D Cation Count		1
Feature 3D Hydrophobe Count		1
Feature 3D Ring Count		4
Effective Rotor Count		15.2
Conformer Sampling RMSD		2
CID Conformer Count		116

Descriptors
IUPAC Name
Canonical SMILES
Isomeric SMILES

Old Version Substance Information

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SID 57391031, Version: 2, Same
SID 57391031, Version: 3, Same
SID 57391031, Version: 4, Same
SID 57391031, Version: 5, Same