240799-82-0
Product Name:
N-[2-(3-METHYL-4-NITRO-5-ISOXAZOLYL)VINYL]-3-(METHYLSULFANYL)ANILINE
Formula:
C13H13N3O3S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 291.33 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 291.06776246 g/mol |
| Monoisotopic Mass | 291.06776246 g/mol |
| Topological Polar Surface Area | 109 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 361 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |