Dopamine | SBID = 364 | Compound | Pubchem logo

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, typical guest, drug
  • 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