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4-Methylindeno[2,1-b]pyridin-9-one

PubChem CID: 14626439

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Compound Synonyms CHEMBL181946, SCHEMBL23235907
Topological Polar Surface Area 30.0
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 15.0
Isotope Atom Count 0.0
Molecular Complexity 276.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id n.a.
Iupac Name 4-methylindeno[2,1-b]pyridin-9-one
Prediction Hob 1.0
Xlogp 2.7
Molecular Formula C13H9NO
Prediction Swissadme 0.0
Inchi Key YDCSRSRWPHXQLV-UHFFFAOYSA-N
Fcsp3 0.0769230769230769
Logs -4.465
Rotatable Bond Count 0.0
Logd 2.435
Compound Name 4-Methylindeno[2,1-b]pyridin-9-one
Prediction Hob Swissadme 0.0
Exact Mass 195.068
Formal Charge 0.0
Monoisotopic Mass 195.068
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 195.22
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -3.3370702
Inchi InChI=1S/C13H9NO/c1-8-6-7-14-12-11(8)9-4-2-3-5-10(9)13(12)15/h2-7H,1H3
Smiles CC1=C2C3=CC=CC=C3C(=O)C2=NC=C1
Nring 3.0
Defined Bond Stereocenter Count 0.0