70844-48-3
Product Name:
Methotrexate Related Compound E (50 mg) (4-{[(2,4-Diaminopteridin-6-yl)methyl](methyl)amino}benzoic acid, hemihydrochloride)
Formula:
C15H16ClN7O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 687.1 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 8 |
| Exact Mass | 686.2341232 g/mol |
| Monoisotopic Mass | 686.2341232 g/mol |
| Topological Polar Surface Area | 288 Ų |
| Heavy Atom Count | 49 |
| Formal Charge | 0 |
| Complexity | 444 |
| 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 | 3 |
| Compound Is Canonicalized | Yes |