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Clauraila C

PubChem CID: 51039827

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Compound Synonyms Clauraila C, CHEBI:69924, Claurailas C, CHEMBL1689797, Q27138268
Topological Polar Surface Area 51.3
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 23.0
Isotope Atom Count 0.0
Molecular Complexity 515.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name methyl 3,3-dimethyl-7H-pyrano[2,3-c]carbazole-10-carboxylate
Prediction Hob 1.0
Xlogp 4.2
Molecular Formula C19H17NO3
Prediction Swissadme 0.0
Inchi Key PCLJYOVKGSBXJW-UHFFFAOYSA-N
Fcsp3 0.2105263157894736
Logs -4.339
Rotatable Bond Count 2.0
Logd 4.407
Compound Name Clauraila C
Prediction Hob Swissadme 0.0
Exact Mass 307.121
Formal Charge 0.0
Monoisotopic Mass 307.121
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 307.3
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -4.652624669565218
Inchi InChI=1S/C19H17NO3/c1-19(2)9-8-12-16(23-19)7-6-15-17(12)13-10-11(18(21)22-3)4-5-14(13)20-15/h4-10,20H,1-3H3
Smiles CC1(C=CC2=C(O1)C=CC3=C2C4=C(N3)C=CC(=C4)C(=O)OC)C
Nring 4.0
Defined Bond Stereocenter Count 0.0