352553-63-0
Product Name:
2-(2-FORMYL-1H-PYRROL-1-YL)-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBONITRILE
Formula:
C14H12N2OS
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COMPUTED DESCRIPTORS
Molecular Weight | 256.32 g/mol |
---|---|
XLogP3 | 3.1 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 2 |
Exact Mass | 256.06703418 g/mol |
Monoisotopic Mass | 256.06703418 g/mol |
Topological Polar Surface Area | 74 Ų |
Heavy Atom Count | 18 |
Formal Charge | 0 |
Complexity | 377 |
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 |