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Phenol, (Z)-

PubChem CID: 5469252

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Compound Synonyms NSC684913, Phenol, (Z)-, CHEMBL476677, NSC-684913
Topological Polar Surface Area 29.5
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 17.0
Isotope Atom Count 0.0
Molecular Complexity 241.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 4-[(Z)-2-(3-methoxyphenyl)ethenyl]phenol
Prediction Hob 1.0
Xlogp 4.0
Molecular Formula C15H14O2
Prediction Swissadme 0.0
Inchi Key ZVJLZUWCAUTTBS-WAYWQWQTSA-N
Fcsp3 0.0666666666666666
Logs -3.639
Rotatable Bond Count 3.0
Logd 3.78
Compound Name Phenol, (Z)-
Prediction Hob Swissadme 0.0
Exact Mass 226.099
Formal Charge 0.0
Monoisotopic Mass 226.099
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 226.27
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Esol -4.106157941176471
Inchi InChI=1S/C15H14O2/c1-17-15-4-2-3-13(11-15)6-5-12-7-9-14(16)10-8-12/h2-11,16H,1H3/b6-5-
Smiles COC1=CC=CC(=C1)/C=C\C2=CC=C(C=C2)O
Nring 2.0
Defined Bond Stereocenter Count 1.0