CID 758889 - PubChem

Compound Summary (CID 758889)

Table of Contents

Compound Information

Properties and Descriptors

Old Version Substance Information

2D Structure
3D Conformer

Compound Information

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CID 758889

Create Date: 2005-07-08

Suppressed Compound

Properties and Descriptors

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Properties
Molecular Weight		320.34194 [g/mol]
Molecular Formula		C₁₉H₁₆N₂O₃
XLogP3-AA		3.5
H-Bond Donor		2
H-Bond Acceptor		4
Rotatable Bond Count		2

Exact Mass		320.116092
MonoIsotopic Mass		320.116092
Topological Polar Surface Area		69.6
Heavy Atom Count		24
Formal Charge		0
Complexity		585
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		1

Feature 3D Acceptor Count		2
Feature 3D Donor Count		2
Feature 3D Anion Count		1
Feature 3D Cation Count		1
Feature 3D Ring Count		4
Effective Rotor Count		3.4
Conformer Sampling RMSD		0.6
CID Conformer Count		14

Descriptors
IUPAC Name
Canonical SMILES
Isomeric SMILES

Old Version Substance Information

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SID 982040, Version: 1, Same
SID 982040, Version: 2, Same
SID 1773365, Version: 1, Same
SID 1773365, Version: 2, Same
SID 1773365, Version: 3, Mixture
SID 4073729, Version: 1, Same
SID 8205419, Version: 1, Same
SID 8205419, Version: 2, Same
SID 8205419, Version: 4, Same
SID 8205419, Version: 5, Same
SID 14721148, Version: 1, Same
SID 14721148, Version: 2, Same
SID 25636494, Version: 1, Same
SID 25636494, Version: 2, Same
SID 25636494, Version: 3, Same
SID 25636494, Version: 4, Same
SID 88221460, Version: 1, Same
SID 88774401, Version: 1, Same
SID 94398174, Version: 1, Same
SID 99831042, Version: 1, Same