Nifedipine | SBID = 1409 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 0 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 7.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C17H18N2O6 | ||
| M / g/mol: | 346.33462 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags:
- Name: Nifedipine
- Preferred Abbreviation: Nifedipine
- IUPAC Name:
- CAS:
- CID: -521
- InChiKey: HYIMSNHJOBLJNT-UHFFFAOYSA-N
- InChi: InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3
- CanoSmiles: COC(=O)C1=C(C)NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OC)C
- IsoSmiles: O=C(OC)C1=C(C)NC(C)=C(C(OC)=O)C1C2=CC=CC=C2[N+]([O-])=O
