860784-22-1
Product Name:
3-(4-CHLOROPHENYL)-5-METHYL-1,6-DIAZATRICYCLO[6.2.2.0(2,7)]DODECA-2(7),3,5-TRIENE-4-CARBONITRILE
Formula:
C18H16ClN3
Inquiry
COMPUTED DESCRIPTORS
Molecular Weight | 309.8 g/mol |
---|---|
XLogP3 | 3.7 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 1 |
Exact Mass | 309.1032752 g/mol |
Monoisotopic Mass | 309.1032752 g/mol |
Topological Polar Surface Area | 39.9 Ų |
Heavy Atom Count | 22 |
Formal Charge | 0 |
Complexity | 456 |
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 |