COMPUTED DESCRIPTORS
| Molecular Weight | 159.21 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 159.03539970 g/mol |
| Monoisotopic Mass | 159.03539970 g/mol |
| Topological Polar Surface Area | 70.8 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 152 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Methyl 4-isothiocyanatobutanoate is a natural product found in Diplotaxis harra with data available.