benzyl 2-(1-hydroxy-9-oxoxanthen-3-yl)oxyacetate

Formula:C22H16O6 Mutagenic:high Tumorigenic:none Reproductive Effective:none benzyl 2-(1-hydroxy-9-oxoxanthen-3-yl)oxyacetate is a drug-like molecule.

MolName	benzyl 2-(1-hydroxy-9-oxoxanthen-3-yl)oxyacetate
MolecularFormula	C22H16O6
Smiles	Oc1cc(OCC(OCc2ccccc2)=O)cc(Oc2c3cccc2)c1C3=O
InChI	InChI=1S/C22H16O6/c23-17-10-15(26-13-20(24)27-12-14-6-2-1-3-7-14)11-19-21(17)22(25)16-8-4-5-9-18(16)28-19/h1-11,23H,12-13H2
InChIK	JJQXIGGGPVIKQS-UHFFFAOYSA-N
TotalMolweight	376.363
Molweight	376.363
MonoisotopicMass	376.09469
CLogP	3.9269
CLogS	-5.875
H Acceptors	6
H Donors	1
TotalSurfaceArea	278.65
Relative PSA	0.24827
PolarSurfaceArea	82.06
Druglikeness	-0.64196
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	2
StereoCon

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