Proflavine | SBID = 140 | Compound |
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | 64.9 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.8 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 164.0 | ||
| Sum Formula: | C13H11N3 | ||
| M / g/mol: | 209.252 | ||
| Complexity: | 232.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: aromatic, typical guest
- Name: Proflavine
- Preferred Abbreviation: Proflavine
- IUPAC Name: acridine-3,6-diamine
- CAS: 92-62-6
- CID: 7099
- InChiKey: WDVSHHCDHLJJJR-UHFFFAOYSA-N
- InChi: InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2
- CanoSmiles: C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N
- IsoSmiles: C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N
