7-hydroxy-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one

Formula:C16H11N3O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 7-hydroxy-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one is a drug-like molecule.

MolName	7-hydroxy-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one
MolecularFormula	C16H11N3O3S2
Smiles	Oc(cc1)cc(O2)c1C(CSc1n[nH]c(-c3cccs3)n1)=CC2=O
InChI	InChI=1S/C16H11N3O3S2/c20-10-3-4-11-9(6-14(21)22-12(11)7-10)8-24-16-17-15(18-19-16)13-2-1-5-23-13/h1-7,20H,8H2,(H,17,18,19)
InChIK	DMTKYRZBEDNLMY-UHFFFAOYSA-N
TotalMolweight	357.413
Molweight	357.413
MonoisotopicMass	357.024182
CLogP	2.565
CLogS	-4.3
H Acceptors	6
H Donors	2
TotalSurfaceArea	252.37
Relative PSA	0.43555
PolarSurfaceArea	141.64
Druglikeness	1.3948
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	4
Aromatic Nitrogens	3
StereoCon

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