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5-[(Z,11S)-11-hydroxyheptadec-8-enyl]benzene-1,3-diol

PubChem CID: 23626633

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Compound Synonyms CHEMBL253132
Topological Polar Surface Area 60.7
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 26.0
Isotope Atom Count 0.0
Molecular Complexity 332.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Iupac Name 5-[(Z,11S)-11-hydroxyheptadec-8-enyl]benzene-1,3-diol
Prediction Hob 0.0
Xlogp 7.7
Molecular Formula C23H38O3
Prediction Swissadme 0.0
Inchi Key QKJHTDPOTJRZOH-DGDFFNOKSA-N
Fcsp3 0.6521739130434783
Logs -3.37
Rotatable Bond Count 15.0
Logd 4.469
Compound Name 5-[(Z,11S)-11-hydroxyheptadec-8-enyl]benzene-1,3-diol
Prediction Hob Swissadme 0.0
Exact Mass 362.282
Formal Charge 0.0
Monoisotopic Mass 362.282
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 362.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 1.0
Esol -6.100704030769229
Inchi InChI=1S/C23H38O3/c1-2-3-4-12-15-21(24)16-13-10-8-6-5-7-9-11-14-20-17-22(25)19-23(26)18-20/h10,13,17-19,21,24-26H,2-9,11-12,14-16H2,1H3/b13-10-/t21-/m0/s1
Smiles CCCCCC[C@@H](C/C=C\CCCCCCCC1=CC(=CC(=C1)O)O)O
Nring 1.0
Defined Bond Stereocenter Count 1.0