Dopamine | SBID = 364 | Compound |
Structure
Molecular Properties
| Interactions: | 19 | ||
| PubChem TPSA/Å2: | 66.5 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -1.0 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 3.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 121.4 | ||
| Sum Formula: | C8H11NO2 | ||
| M / g/mol: | 153.181 | ||
| Complexity: | 119.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: neurotransmitter, drug, typical guest
- Name: Dopamine
- Preferred Abbreviation: Dopamine
- IUPAC Name: 4-(2-aminoethyl)benzene-1,2-diol
- CAS: 51-61-6
- CID: 681
- InChiKey: VYFYYTLLBUKUHU-UHFFFAOYSA-N
- InChi: InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
- CanoSmiles: C1=CC(=C(C=C1CCN)O)O
- IsoSmiles: C1=CC(=C(C=C1CCN)O)O
