CHEMICAL AND PHYSICAL PROPERTIES
| Melting Point | 58 °C |
|---|---|
| Solubility | In water, 1X10+6 mg/L @ 25 °C /Estimated/ |
| Vapor Pressure | 0.000015 [mmHg] |
| LogP | log Kow = -0.56 @ 25 °C /Estimated/ |
| Henry's Law Constant | Henry's Law constant = 4.1X10-11 atm-cu m/mol @ 25 °C /Estimated/ |
| Optical Rotation | SPECIFIC OPTICAL ROTATION: 124 DEG (ETHANOL, 1%) |
| Dissociation Constants | pKa= 9.01 +/- 0.05 |
| Other Experimental Properties | Hydroxyl radical reaction rate constant = 1.2X10-10 cu cm/molec-sec @ 25 °C /Estimated/ |
| Chemical Classes | Biological Agents -> Plant Toxins |
COMPUTED DESCRIPTORS
| Molecular Weight | 155.19 g/mol |
|---|---|
| XLogP3 | -1.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 155.094628657 g/mol |
| Monoisotopic Mass | 155.094628657 g/mol |
| Topological Polar Surface Area | 43.7 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 191 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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
Heliotridine is a member of pyrrolizines.