coronene | SBID = 2748 | Compound |
Structure
Molecular Properties
| Interactions: | 5 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| Ertl TPSA/Å2: | 0.0 | ||
| Hydrophilicity (PubChem XLogP): | 7.2 | ||
| Hydrophilicity (Cheng XLogP3): | 7.64 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 0.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 210.6 | ||
| Sum Formula: | C24H12 | ||
| M / g/mol: | 300.4 | ||
| Complexity: | 376.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags:
- Name: coronene
- Preferred Abbreviation: CORONENE
- IUPAC Name: coronene
- CAS:
- CID: 9115
- InChiKey: VPUGDVKSAQVFFS-UHFFFAOYSA-N
- InChi: InChI=1S/C24H12/c1-2-14-5-6-16-9-11-18-12-10-17-8-7-15-4-3-13(1)19-20(14)22(16)24(18)23(17)21(15)19/h1-12H
- CanoSmiles: C1=CC2=C3C4=C1C=CC5=C4C6=C(C=C5)C=CC7=C6C3=C(C=C2)C=C7
- IsoSmiles: C1=CC2=C3C4=C1C=CC5=C4C6=C(C=C5)C=CC7=C6C3=C(C=C2)C=C7
