4-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-hydroxychromen-2-one

Formula:C20H11N2O4ClS2 Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-hydroxychromen-2-one is a drug-like molecule.

MolName	4-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-hydroxychromen-2-one
MolecularFormula	C20H11N2O4ClS2
Smiles	Oc(cc1)cc(O2)c1C(CSc1nnc(-c(sc3c4cccc3)c4Cl)o1)=CC2=O
InChI	InChI=1S/C20H11ClN2O4S2/c21-17-13-3-1-2-4-15(13)29-18(17)19-22-23-20(27-19)28-9-10-7-16(25)26-14-8-11(24)5-6-12(10)14/h1-8,24H,9H2
InChIK	PJRPGPSDSRDAJV-UHFFFAOYSA-N
TotalMolweight	442.902
Molweight	442.902
MonoisotopicMass	441.984875
CLogP	4.6378
CLogS	-7.009
H Acceptors	6
H Donors	1
TotalSurfaceArea	302.51
Relative PSA	0.36376
PolarSurfaceArea	138.99
Druglikeness	0.14502
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	4
Aromatic Nitrogens	2
StereoCon

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