860644-73-1
Product Name:
3-(4-CHLOROPHENYL)-5-METHYL-1,6-DIAZATRICYCLO[6.2.2.0(2,7)]DODECA-2(7),4-DIENE-4-CARBONITRILE
Formula:
C18H18ClN3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 311.8 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 311.1189253 g/mol |
| Monoisotopic Mass | 311.1189253 g/mol |
| Topological Polar Surface Area | 39.1 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 581 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |