Purine | SBID = 2583 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | 54.46 | ||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | -0.37 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 0.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C5H4N4 | ||
| M / g/mol: | 120.11206 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags:
- Name: Purine
- Preferred Abbreviation:
- IUPAC Name:
- CAS:
- CID: -1140
- InChiKey: KDCGOANMDULRCW-UHFFFAOYSA-N
- InChi: InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)
- CanoSmiles: c1ncc2c(n1)[nH]cn2
- IsoSmiles: C1(NC=N2)=C2C=NC=N1
