Proflavin protonated | SBID = 1898 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 1.0 | ||
| Number of H-Bond Donors: | 3.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C13H12N3+ | ||
| M / g/mol: | 210.25448 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: aromatic, cation, typical guest, dye, charged
- Name: Proflavin protonated
- Preferred Abbreviation: Proflavin protonated
- IUPAC Name: 3,​6-​Acridinediamine, conjugate acid
- CAS: 24437-04-5
- CID: -809
- InChiKey: QIQNGEVBDDLNOO-UHFFFAOYSA-O
- InChi: InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7,14,16H,15H2/p+1
- CanoSmiles: Nc1ccc2c(c1)[nH]c1-c(c2)ccc(=[NH2+])c1
- IsoSmiles: [NH2+]=C1C=C2NC3=CC(N)=CC=C3C=C2C=C1
