879435-17-3
Product Name:
1-(3-Chloro-2-methyl-phenyl)-2,7-dimethyl-1H,7H-1,3a,5,7,8-pentaaza-cyclopenta[a]indene-4,6-dione
Formula:
C16H14ClN5O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 343.77 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 343.0836024 g/mol |
| Monoisotopic Mass | 343.0836024 g/mol |
| Topological Polar Surface Area | 71.6 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 561 |
| 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 |