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Nigrolineaxanthone F

PubChem CID: 11709351

Connections displayed (default: 10).
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Compound Synonyms Nigrolineaxanthone F, 6,9-dihydroxy-3,3-dimethylpyrano[2,3-c]xanthen-7-one, NigrolineaxanthoneF, CHEMBL469411, SCHEMBL22704773
Topological Polar Surface Area 76.0
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 23.0
Isotope Atom Count 0.0
Molecular Complexity 528.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id n.a.
Iupac Name 6,9-dihydroxy-3,3-dimethylpyrano[2,3-c]xanthen-7-one
Prediction Hob 1.0
Xlogp 3.7
Molecular Formula C18H14O5
Prediction Swissadme 0.0
Inchi Key TZPXKEYIVMJZOB-UHFFFAOYSA-N
Fcsp3 0.1666666666666666
Logs -3.839
Rotatable Bond Count 0.0
Logd 3.161
Compound Name Nigrolineaxanthone F
Prediction Hob Swissadme 0.0
Exact Mass 310.084
Formal Charge 0.0
Monoisotopic Mass 310.084
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 310.3
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -4.904425782608696
Inchi InChI=1S/C18H14O5/c1-18(2)6-5-10-14(23-18)8-12(20)15-16(21)11-7-9(19)3-4-13(11)22-17(10)15/h3-8,19-20H,1-2H3
Smiles CC1(C=CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C=C(C=C4)O)O)C
Nring 4.0
Defined Bond Stereocenter Count 0.0