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Desbromoarborescidine A

PubChem CID: 11276206

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Compound Synonyms DESBROMOARBORESCIDINE A, (12bS)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine, (12bS)-1,2,3,4,6,7,12,12b-octahydroindolo(2,3-a)quinolizine, 10252-12-7, CHEMBL93136, (12bS)-1,2,3,4,6,7,12,12bbeta-Octahydroindolo[2,3-a]quinolizine
Topological Polar Surface Area 19.0
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 17.0
Isotope Atom Count 0.0
Molecular Complexity 291.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Uniprot Id P30994
Iupac Name (12bS)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine
Prediction Hob 1.0
Xlogp 2.8
Molecular Formula C15H18N2
Prediction Swissadme 0.0
Inchi Key OURDZMSSMGUMKR-AWEZNQCLSA-N
Fcsp3 0.4666666666666667
Logs -2.124
Rotatable Bond Count 0.0
Logd 2.942
Compound Name Desbromoarborescidine A
Prediction Hob Swissadme 0.0
Exact Mass 226.147
Formal Charge 0.0
Monoisotopic Mass 226.147
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 226.32
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -3.4178673058823534
Inchi InChI=1S/C15H18N2/c1-2-6-13-11(5-1)12-8-10-17-9-4-3-7-14(17)15(12)16-13/h1-2,5-6,14,16H,3-4,7-10H2/t14-/m0/s1
Smiles C1CCN2CCC3=C([C@@H]2C1)NC4=CC=CC=C34
Nring 4.0
Defined Bond Stereocenter Count 0.0