CHEMICAL AND PHYSICAL PROPERTIES
Collision Cross Section | 172.9 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
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COMPUTED DESCRIPTORS
Molecular Weight | 326.4 g/mol |
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XLogP3 | 1.8 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 1 |
Exact Mass | 326.199428076 g/mol |
Monoisotopic Mass | 326.199428076 g/mol |
Topological Polar Surface Area | 46.9 Ų |
Heavy Atom Count | 24 |
Formal Charge | 0 |
Complexity | 570 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 9 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Ajmaline is a natural product found in Rauvolfia yunnanensis, Rauvolfia balansae, and other organisms with data available.