(6,7-dihydroxy-2-oxochromen-4-yl)methyl 3-chloro-1-benzothiophene-2-carboxylate

Formula:C19H11O6ClS Mutagenic:high Tumorigenic:none Reproductive Effective:high (6,7-dihydroxy-2-oxochromen-4-yl)methyl 3-chloro-1-benzothiophene-2-carboxylate is a drug-like molecule.

MolName	(6,7-dihydroxy-2-oxochromen-4-yl)methyl 3-chloro-1-benzothiophene-2-carboxylate
MolecularFormula	C19H11O6ClS
Smiles	Oc(c(O)c1)cc(C(COC(c(sc2c3cccc2)c3Cl)=O)=C2)c1OC2=O
InChI	InChI=1S/C19H11ClO6S/c20-17-10-3-1-2-4-15(10)27-18(17)19(24)25-8-9-5-16(23)26-14-7-13(22)12(21)6-11(9)14/h1-7,21-22H,8H2
InChIK	GTGBBFAFMYQMLB-UHFFFAOYSA-N
TotalMolweight	402.809
Molweight	402.809
MonoisotopicMass	401.996487
CLogP	3.4131
CLogS	-4.665
H Acceptors	6
H Donors	2
TotalSurfaceArea	272.15
Relative PSA	0.3404
PolarSurfaceArea	121.3
Druglikeness	-0.74612
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	3-halo-enone
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	5
StereoCon

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