(7-hydroxy-2-oxochromen-4-yl)methyl 4-oxo-4-thiophen-2-ylbutanoate

Formula:C18H14O6S Mutagenic:none Tumorigenic:none Reproductive Effective:high (7-hydroxy-2-oxochromen-4-yl)methyl 4-oxo-4-thiophen-2-ylbutanoate is a drug-like molecule.

MolName	(7-hydroxy-2-oxochromen-4-yl)methyl 4-oxo-4-thiophen-2-ylbutanoate
MolecularFormula	C18H14O6S
Smiles	Oc(cc1)cc(O2)c1C(COC(CCC(c1cccs1)=O)=O)=CC2=O
InChI	InChI=1S/C18H14O6S/c19-12-3-4-13-11(8-18(22)24-15(13)9-12)10-23-17(21)6-5-14(20)16-2-1-7-25-16/h1-4,7-9,19H,5-6,10H2
InChIK	CBGNBRFSPWKTSY-UHFFFAOYSA-N
TotalMolweight	358.369
Molweight	358.369
MonoisotopicMass	358.05111
CLogP	2.1168
CLogS	-3.572
H Acceptors	6
H Donors	1
TotalSurfaceArea	261.05
Relative PSA	0.35464
PolarSurfaceArea	118.14
Druglikeness	-3.0456
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
StereoCon

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