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3,4,5,3'-Tetrahydroxybenzophenone

PubChem CID: 52948815

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Compound Synonyms 3,4,5,3'-Tetrahydroxybenzophenone, CHEMBL1256379, SCHEMBL20533600, BDBM50327908, 3,4,5,3''-tetrahydroxybenzophenone, (3-hydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
Topological Polar Surface Area 98.0
Hydrogen Bond Donor Count 4.0
Heavy Atom Count 18.0
Isotope Atom Count 0.0
Molecular Complexity 294.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P49327
Iupac Name (3-hydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
Prediction Hob 1.0
Target Id NPT865
Xlogp 1.8
Molecular Formula C13H10O5
Prediction Swissadme 0.0
Inchi Key BGRHXPHEMQYXJP-UHFFFAOYSA-N
Fcsp3 0.0
Logs -2.221
Rotatable Bond Count 2.0
Logd 1.14
Compound Name 3,4,5,3'-Tetrahydroxybenzophenone
Prediction Hob Swissadme 0.0
Exact Mass 246.053
Formal Charge 0.0
Monoisotopic Mass 246.053
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 246.21
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -2.887084933333333
Inchi InChI=1S/C13H10O5/c14-9-3-1-2-7(4-9)12(17)8-5-10(15)13(18)11(16)6-8/h1-6,14-16,18H
Smiles C1=CC(=CC(=C1)O)C(=O)C2=CC(=C(C(=C2)O)O)O
Nring 2.0
Defined Bond Stereocenter Count 0.0