113789-44-9
Product Name:
oxytocin, 1'-(1'-methyl-4'-thiopiperidine)acetic acid-
Formula:
C48H74N12O12S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 1075.3 g/mol |
|---|---|
| XLogP3 | -1.4 |
| Hydrogen Bond Donor Count | 11 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 17 |
| Exact Mass | 1074.49905819 g/mol |
| Monoisotopic Mass | 1074.49905819 g/mol |
| Topological Polar Surface Area | 427 Ų |
| Heavy Atom Count | 74 |
| Formal Charge | 0 |
| Complexity | 2040 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 7 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |