1-NAPTHYL-NHCOO-5KPEGOME | SBID = 2376 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 3
PubChem TPSA/Å2:
Ertl TPSA/Å2: 47.56
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 2.07
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C14H15NO3
M / g/mol: 245.2738
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: 1-NAPTHYL-NHCOO-5KPEGOME
  • Preferred Abbreviation: 1Np-5kPEGOMe
  • IUPAC Name:
  • CAS:
  • CID: -990
  • InChiKey: JTTXEPHLLQSBNH-UHFFFAOYSA-N
  • InChi: InChI=1S/C14H15NO3/c1-17-9-10-18-14(16)15-13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9-10H2,1H3,(H,15,16)
  • CanoSmiles: COCCOC(=O)Nc1cccc2c1cccc2
  • IsoSmiles: COCCOC(NC1=CC=CC2=C1C=CC=C2)=O