Melatonin | SBID = 2355 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 54.1 | ||
| Ertl TPSA/Å2: | 54.12 | ||
| Hydrophilicity (PubChem XLogP): | 0.8 | ||
| Hydrophilicity (Cheng XLogP3): | 0.79 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 185.3 | ||
| Sum Formula: | C13H16N2O2 | ||
| M / g/mol: | 232.28 | ||
| Complexity: | 270.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: metabolite, hormone
- Name: Melatonin
- Preferred Abbreviation: Melatonin
- IUPAC Name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
- CAS:
- CID: 896
- InChiKey: DRLFMBDRBRZALE-UHFFFAOYSA-N
- InChi: InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
- CanoSmiles: CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC
- IsoSmiles: CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC
