Pyronine | SBID = 259 | 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: | |||
| Number of H-Bond Acceptors: | |||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C13H11N2O+ | ||
| M / g/mol: | 211.24 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: aromatic, cation, typical guest, dye, charged
- Name: Pyronine
- Preferred Abbreviation: Pyronine
- IUPAC Name:
- CAS:
- CID: -36
- InChiKey: DJXIADRXORLNJX-UHFFFAOYSA-O
- InChi: InChI=1S/C13H10N2O/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7,14H,15H2/p+1
- CanoSmiles: NC1=CC=C2C([O+]=C(C=C(N)C=C3)C3=C2)=C1
- IsoSmiles: NC1=CC(OC2=CC3=[NH2+])=C(C=C2C=C3)C=C1
