naphthalene | SBID = 2345 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| Ertl TPSA/Å2: | 0.0 | ||
| Hydrophilicity (PubChem XLogP): | 3.3 | ||
| Hydrophilicity (Cheng XLogP3): | 3.3 | ||
| 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: | 103.0 | ||
| Sum Formula: | C10H8 | ||
| M / g/mol: | 128.17 | ||
| Complexity: | 80.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags:
- Name: naphthalene
- Preferred Abbreviation: naphthalene
- IUPAC Name: naphthalene
- CAS:
- CID: 931
- InChiKey: UFWIBTONFRDIAS-UHFFFAOYSA-N
- InChi: InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H
- CanoSmiles: C1=CC=C2C=CC=CC2=C1
- IsoSmiles: C1=CC=C2C=CC=CC2=C1
