82789-26-2
Product Name:
1-BENZO[1,3]DIOXOL-5-YL-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-3-CARBOXYLIC ACID
Formula:
C19H16N2O4
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 336.3 g/mol |
|---|---|
| XLogP3 | 0.3 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 336.11100700 g/mol |
| Monoisotopic Mass | 336.11100700 g/mol |
| Topological Polar Surface Area | 83.6 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 530 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid is a harmala alkaloid.