Indole | SBID = 55 | Compound | Pubchem logo

Struc Structure

Molecular Properties

Interactions: 12
PubChem TPSA/Å2: 15.8
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 2.1
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 1.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 0.0
3D Volume/Å3: 98.7
Sum Formula: C8H7N
M / g/mol: 117.151
Complexity: 101.0
Number of Conformers: 1.0

Identifiers

  • Tags: aromatic, typical guest
  • Name: Indole
  • Preferred Abbreviation: Indole
  • IUPAC Name: 1H-indole
  • CAS: 120-72-9
  • CID: 798
  • InChiKey: SIKJAQJRHWYJAI-UHFFFAOYSA-N
  • InChi: InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
  • CanoSmiles: C1=CC=C2C(=C1)C=CN2
  • IsoSmiles: C1=CC=C2C(=C1)C=CN2