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Murrayafoline A

PubChem CID: 375150

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Compound Synonyms 1-Methoxy-3-methyl-9H-carbazole, 4532-33-6, Murrayafoline A, 1-methoxy-3-methylcarbazole, Murrayafolin a, MFCD18452402, DTXSID90327415, CHEMBL490667, SCHEMBL19127730, DTXCID80278528, CHEBI:229176, EAA53233, 1-Methoxy-3-methyl-9H-carbazole #, 9H-Carbazole, 1-methoxy-3-methyl-, NSC654284, AKOS016005765, HY-W100287, NSC-654284, AC-29647, DS-14611, NCI60_018848, SY042489, DB-111324, CS-0152929, EN300-217286, F31078, NCGC00385438-01!1-methoxy-3-methyl-9H-carbazole
Topological Polar Surface Area 25.0
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 16.0
Isotope Atom Count 0.0
Molecular Complexity 255.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id n.a.
Iupac Name 1-methoxy-3-methyl-9H-carbazole
Prediction Hob 1.0
Xlogp 3.7
Molecular Formula C14H13NO
Prediction Swissadme 0.0
Inchi Key HDETUOZJFUNSKG-UHFFFAOYSA-N
Fcsp3 0.1428571428571428
Logs -5.037
Rotatable Bond Count 1.0
Logd 3.749
Compound Name Murrayafoline A
Prediction Hob Swissadme 0.0
Exact Mass 211.1
Formal Charge 0.0
Monoisotopic Mass 211.1
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 211.26
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -4.0286868
Inchi InChI=1S/C14H13NO/c1-9-7-11-10-5-3-4-6-12(10)15-14(11)13(8-9)16-2/h3-8,15H,1-2H3
Smiles CC1=CC2=C(C(=C1)OC)NC3=CC=CC=C32
Nring 3.0
Defined Bond Stereocenter Count 0.0