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(E/Z)-dracumerin

PubChem CID: 11275633

Connections displayed (default: 10).
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Compound Synonyms (E/Z)-dracumerin, CHEMBL460603
Topological Polar Surface Area 26.3
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 15.0
Isotope Atom Count 0.0
Molecular Complexity 325.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 3-[(1E)-buta-1,3-dienyl]isochromen-1-one
Prediction Hob 1.0
Xlogp 3.3
Molecular Formula C13H10O2
Prediction Swissadme 0.0
Inchi Key NCJLODXKOVAPFB-XVNBXDOJSA-N
Fcsp3 0.0
Logs -3.935
Rotatable Bond Count 2.0
Logd 3.16
Compound Name (E/Z)-dracumerin
Prediction Hob Swissadme 0.0
Exact Mass 198.068
Formal Charge 0.0
Monoisotopic Mass 198.068
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 198.22
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Esol -2.803703533333333
Inchi InChI=1S/C13H10O2/c1-2-3-7-11-9-10-6-4-5-8-12(10)13(14)15-11/h2-9H,1H2/b7-3+
Smiles C=C/C=C/C1=CC2=CC=CC=C2C(=O)O1
Nring 2.0
Defined Bond Stereocenter Count 1.0