4-[[5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-hydroxychromen-2-one

Formula:C19H12N2O3Cl2S3 Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-[[5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-hydroxychromen-2-one is not a drug-like molecule.

MolName	4-[[5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-hydroxychromen-2-one
MolecularFormula	C19H12N2O3Cl2S3
Smiles	Oc(cc1)cc(O2)c1C(CSc1nnc(SCc(c(Cl)ccc3)c3Cl)s1)=CC2=O
InChI	InChI=1S/C19H12Cl2N2O3S3/c20-14-2-1-3-15(21)13(14)9-28-19-23-22-18(29-19)27-8-10-6-17(25)26-16-7-11(24)4-5-12(10)16/h1-7,24H,8-9H2
InChIK	HBYRKDYNWBFARS-UHFFFAOYSA-N
TotalMolweight	483.419
Molweight	483.419
MonoisotopicMass	481.938707
CLogP	5.0971
CLogS	-7.064
H Acceptors	5
H Donors	1
TotalSurfaceArea	324.89
Relative PSA	0.3491
PolarSurfaceArea	151.15
Druglikeness	-0.35427
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	3
Aromatic Nitrogens	2
StereoCon

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1 - 4-[[5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-hydroxychromen-2-one | 2 - 4-[[5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-hydroxychromen-2-one

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