| TM
A collection of highly
sought after literature values of the physicochemical properties of more
than 20,000 compounds. All entries include three-dimensional structures
calculated by molecular mechanics; any entry can be converted to SD format
used in CambridgeSoft’s ChemFinder. Values are complete with literature
references and experimental conditions; multiple entries are listed where
different literature values were found.
Data includes many of the following
properties:
| Chemical name and synonyms |
3D MM optimized structure |
Chemical Formula |
| CAS Registry Number |
Beilstein Registry
Number |
Beilstein Reference |
| Heat of Formation |
Entropy |
n-Octanol/Water partition
coefficient (log(p)) |
| Vapor Pressure |
Henry’s Law Constant |
Cyclohexanol/Water
partition coefficient |
| Water Solubility |
pKa |
Boiling Point |
| Melting Point |
Density |
Refractive Index |
The program has its own search engine which
provides:
| Ability to
query the Database by thousands of synonyms |
|
| Ability to query the
Database by: |
CAS registry number |
Beilstein Registry Number |
|
Beilstein Reference |
Chemical Formula |
|
Property ranges |
Molecular weights or
molecular weight ranges |
|
Substructure presence |
Presence or absence of any
structure |
| Ability to
formulate query by using SMILES code |
|
(Requires Windows 95, 98 or NT)
| P/N
A14260 |
MolSuite DB |
$
499.00 |
|
| SPECIAL:
Buy Our MolSuite 2000 and SAVE! |
| P/N
A12258 |
MolSuite 2000 |
$
999.00 |
|
More
Information on MolSuite 2000!
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|
