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(1S,4R,4aS,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalen-1-ol

PubChem CID: 44576208

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Compound Synonyms CHEMBL489541
Topological Polar Surface Area 20.2
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 16.0
Isotope Atom Count 0.0
Molecular Complexity 328.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 4.0
Iupac Name (1S,4R,4aS,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalen-1-ol
Prediction Hob 0.0
Xlogp 3.8
Molecular Formula C15H24O
Prediction Swissadme 1.0
Inchi Key NJWPLFBOSCSZFA-UXOAXIEHSA-N
Fcsp3 0.7333333333333333
Logs -3.69
Rotatable Bond Count 1.0
Logd 3.573
Compound Name (1S,4R,4aS,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalen-1-ol
Prediction Hob Swissadme 0.0
Exact Mass 220.183
Formal Charge 0.0
Monoisotopic Mass 220.183
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 220.35
Covalent Unit Count 1.0
Total Atom Stereocenter Count 4.0
Total Bond Stereocenter Count 0.0
Esol -3.5090071999999997
Inchi InChI=1S/C15H24O/c1-10(2)12-6-7-13-14(16)8-5-11(3)15(13,4)9-12/h7,11-12,14,16H,1,5-6,8-9H2,2-4H3/t11-,12-,14+,15+/m1/s1
Smiles C[C@@H]1CC[C@@H](C2=CC[C@H](C[C@@]12C)C(=C)C)O
Nring 2.0
Defined Bond Stereocenter Count 0.0