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1,8-Dihydroxynaphthalene

PubChem CID: 68438

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Compound Synonyms Naphthalene-1,8-diol, 1,8-Naphthalenediol, 569-42-6, 1,8-Dihydroxynaphthalene, JEW2VB8R33, EINECS 209-316-5, MFCD00042701, 138999-35-6, CHEBI:167604, DTXSID80205435, 1,8-Naphthalindiol, 8-hydroxy-1-naphthol, UNII-JEW2VB8R33, SCHEMBL70219, CHEMBL203537, YSSJ3004, 1,8-Dihydroxynaphthalene, 95%, 1,8-DHN, DTXCID80127926, BCP10859, CS-B0783, AC-950, AKOS003601449, AB90058, FS-3227, FN142880, SY027091, NS00042828, EN300-41347, Z415933894
Topological Polar Surface Area 40.5
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 12.0
Isotope Atom Count 0.0
Molecular Complexity 142.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id Q2KJ64
Iupac Name naphthalene-1,8-diol
Prediction Hob 0.0
Xlogp 2.8
Molecular Formula C10H8O2
Prediction Swissadme 0.0
Inchi Key OENHRRVNRZBNNS-UHFFFAOYSA-N
Fcsp3 0.0
Logs -2.6
Rotatable Bond Count 0.0
Logd 2.696
Compound Name 1,8-Dihydroxynaphthalene
Prediction Hob Swissadme 0.0
Exact Mass 160.052
Formal Charge 0.0
Monoisotopic Mass 160.052
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 160.17
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -2.980633066666667
Inchi InChI=1S/C10H8O2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6,11-12H
Smiles C1=CC2=C(C(=C1)O)C(=CC=C2)O
Nring 2.0
Defined Bond Stereocenter Count 0.0