CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 439.46 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 267.3 g/mol |
|---|---|
| XLogP3 | 5.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 267.104799419 g/mol |
| Monoisotopic Mass | 267.104799419 g/mol |
| Topological Polar Surface Area | 26 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 405 |
| 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 |
PRODUCT INTRODUCTION
description
3-Aminobenzo[a]pyrene is a polycyclic aromatic hydrocarbon belongs to the family of mutagen benzo(a)pyrene. 3-aminobenzo(a)pyrene consists of five fused rings with an amino-group attached to the third carbon atom of the aromatic hydrocarbon ring with potential carcinogenicity.