2-(7,8-dihydroxy-2-oxochromen-4-yl)acetic acid

Formula:C11H8O6 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-(7,8-dihydroxy-2-oxochromen-4-yl)acetic acid is a drug-like molecule.

MolName	2-(7,8-dihydroxy-2-oxochromen-4-yl)acetic acid
MolecularFormula	C11H8O6
Smiles	OC(CC(c(c(O1)c2O)ccc2O)=CC1=O)=O
InChI	InChI=1S/C11H8O6/c12-7-2-1-6-5(3-8(13)14)4-9(15)17-11(6)10(7)16/h1-2,4,12,16H,3H2,(H,13,14)
InChIK	LNRFNPKOQGRTFS-UHFFFAOYSA-N
TotalMolweight	236.179
Molweight	236.179
MonoisotopicMass	236.03209
CLogP	0.0623
CLogS	-1.252
H Acceptors	6
H Donors	3
TotalSurfaceArea	162.78
Relative PSA	0.46308
PolarSurfaceArea	104.06
Druglikeness	-2.04
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.52941
Fragments	1
Non HAtoms	17
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	5
AcidicOxygens	1
StereoCon

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