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Khusitone

PubChem CID: 97046659

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Compound Synonyms Khusitone, DTXSID801347172, 2221-76-3, Q63396412
Topological Polar Surface Area 17.1
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 15.0
Isotope Atom Count 0.0
Molecular Complexity 324.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 3.0
Iupac Name 1-[(1S,4aS,8aS)-7-methyl-4-methylidene-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-1-yl]ethanone
Prediction Hob 1.0
Xlogp 2.2
Molecular Formula C14H20O
Prediction Swissadme 0.0
Inchi Key YXIJNEOZFSAIAQ-MCIONIFRSA-N
Fcsp3 0.6428571428571429
Logs -3.078
Rotatable Bond Count 1.0
Logd 3.096
Compound Name Khusitone
Prediction Hob Swissadme 0.0
Exact Mass 204.151
Formal Charge 0.0
Monoisotopic Mass 204.151
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 204.31
Covalent Unit Count 1.0
Total Atom Stereocenter Count 3.0
Total Bond Stereocenter Count 0.0
Esol -2.4456406
Inchi InChI=1S/C14H20O/c1-9-4-6-12-10(2)5-7-13(11(3)15)14(12)8-9/h8,12-14H,2,4-7H2,1,3H3/t12-,13-,14+/m1/s1
Smiles CC1=C[C@H]2[C@H](CC1)C(=C)CC[C@@H]2C(=O)C
Nring 2.0
Defined Bond Stereocenter Count 0.0