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Acridine | SBID = 734 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 12.9 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 3.4 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 146.8 | ||
| Sum Formula: | C13H9N | ||
| M / g/mol: | 179.22 | ||
| Complexity: | 181.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: aromatic, typical guest
- Name: Acridine
- Preferred Abbreviation: Acridine
- IUPAC Name: acridine
- CAS: 260-94-6
- CID: 9215
- InChiKey: DZBUGLKDJFMEHC-UHFFFAOYSA-N
- InChi: InChI=1S/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H
- CanoSmiles: C1=CC=C2C(=C1)C=C3C=CC=CC3=N2
- IsoSmiles: C1=CC=C2C(=C1)C=C3C=CC=CC3=N2
