This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

Khrinone D

PubChem CID: 44613794

Connections displayed (default: 10).
Loading graph...

Compound Synonyms khrinone D, CHEMBL1079792, 5,7-dihydroxy-3-(6-methoxy-1,3-benzodioxol-5-yl)chromen-4-one, 1201493-83-5
Topological Polar Surface Area 94.5
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 24.0
Isotope Atom Count 0.0
Molecular Complexity 533.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 5,7-dihydroxy-3-(6-methoxy-1,3-benzodioxol-5-yl)chromen-4-one
Prediction Hob 1.0
Xlogp 2.8
Molecular Formula C17H12O7
Prediction Swissadme 0.0
Inchi Key YCXPVHYOMBNKEI-UHFFFAOYSA-N
Fcsp3 0.1176470588235294
Logs -4.019
Rotatable Bond Count 2.0
Logd 2.823
Compound Name Khrinone D
Prediction Hob Swissadme 0.0
Exact Mass 328.058
Formal Charge 0.0
Monoisotopic Mass 328.058
Hydrogen Bond Acceptor Count 7.0
Molecular Weight 328.27
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -3.5092445333333333
Inchi InChI=1S/C17H12O7/c1-21-12-5-14-13(23-7-24-14)4-9(12)10-6-22-15-3-8(18)2-11(19)16(15)17(10)20/h2-6,18-19H,7H2,1H3
Smiles COC1=CC2=C(C=C1C3=COC4=CC(=CC(=C4C3=O)O)O)OCO2
Nring 4.0
Defined Bond Stereocenter Count 0.0