Cas no 392233-81-7 ()

392233-81-7 structure
structure
Product Name:
CAS No:392233-81-7
MF:C13H13N3O
MW:227.261822462082
CID:6772280
PubChem ID:5124151
Update Time:2024-03-03

Chemical and Physical Properties

Names and Identifiers

    • Inchi: 1S/C13H13N3O/c1-9(17)16-5-3-13-11(8-16)6-10-7-14-4-2-12(10)15-13/h2,4,6-7H,3,5,8H2,1H3
    • InChI Key: HEDZASSWOOAYDV-UHFFFAOYSA-N
    • SMILES: O=C(C)N1CC2C=C3C=NC=CC3=NC=2CC1

Computed Properties

  • Exact Mass: 227.105862047g/mol
  • Monoisotopic Mass: 227.105862047g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 0
  • Complexity: 307
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.5
  • Topological Polar Surface Area: 46.1?2

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