2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxychromen-4-one

Formula:C20H18O11 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxychromen-4-one is not a drug-like molecule.

MolName	2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxychromen-4-one
MolecularFormula	C20H18O11
Smiles	OC(COC(C1O)OC2=C(c(cc3)cc(O)c3O)Oc(cc(cc3O)O)c3C2=O)C1O
InChI	InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2
InChIK	PZZRDJXEMZMZFD-UHFFFAOYSA-N
TotalMolweight	434.352
Molweight	434.352
MonoisotopicMass	434.084915
CLogP	0.2551
CLogS	-2.32
H Acceptors	11
H Donors	7
TotalSurfaceArea	284.9
Relative PSA	0.47294
PolarSurfaceArea	186.37
Druglikeness	-3.8653
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.41935
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	4
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	15
StereoCon	unknown chirality

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