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(-)-Lirinidine

PubChem CID: 821343

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Compound Synonyms (-)-Lirinidine, (6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinolin-1-ol, (6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinoline-1-ol, (6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol, (6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1-ol, SCHEMBL4159150, CHEMBL2316500, 37082-15-8
Topological Polar Surface Area 32.7
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 21.0
Isotope Atom Count 0.0
Molecular Complexity 387.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Iupac Name (6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
Prediction Hob 1.0
Xlogp 2.6
Molecular Formula C18H19NO2
Prediction Swissadme 1.0
Inchi Key YXVXMURDCBMPRH-CQSZACIVSA-N
Fcsp3 0.3333333333333333
Logs -2.198
Rotatable Bond Count 1.0
Logd 2.853
Compound Name (-)-Lirinidine
Prediction Hob Swissadme 1.0
Exact Mass 281.142
Formal Charge 0.0
Monoisotopic Mass 281.142
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 281.3
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -3.604407742857143
Inchi InChI=1S/C18H19NO2/c1-19-8-7-12-10-15(21-2)18(20)17-13-6-4-3-5-11(13)9-14(19)16(12)17/h3-6,10,14,20H,7-9H2,1-2H3/t14-/m1/s1
Smiles CN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC=CC=C43)O)OC
Nring 4.0
Defined Bond Stereocenter Count 0.0