7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione | SBID = 415 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 84.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.1 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 178.7 | ||
| Sum Formula: | C12H10N4O2 | ||
| M / g/mol: | 242.238 | ||
| Complexity: | 386.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: aromatic, typical guest
- Name: 7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione
- Preferred Abbreviation: Lumichrome
- IUPAC Name: 7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione
- CAS: 1086-80-2
- CID: 5326566
- InChiKey: ZJTJUVIJVLLGSP-UHFFFAOYSA-N
- InChi: InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)
- CanoSmiles: CC1=CC2=C(C=C1C)N=C3C(=N2)C(=O)NC(=O)N3
- IsoSmiles: CC1=CC2=C(C=C1C)N=C3C(=N2)C(=O)NC(=O)N3
