neridronate | SBID = 1468 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 6.0 | ||
| Number of H-Bond Acceptors: | 8.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C6H17NO7P2 | ||
| M / g/mol: | 277.149202 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: drug
- Name: neridronate
- Preferred Abbreviation: neridronate
- IUPAC Name:
- CAS:
- CID: -553
- InChiKey: PUUSSSIBPPTKTP-UHFFFAOYSA-N
- InChi: InChI=1S/C6H17NO7P2/c7-5-3-1-2-4-6(8,15(9,10)11)16(12,13)14/h8H,1-5,7H2,(H2,9,10,11)(H2,12,13,14)
- CanoSmiles: NCCCCCC(P(=O)(O)O)(P(=O)(O)O)O
- IsoSmiles: O=P(O)(O)C(CCCCCN)(O)P(O)(O)=O
