3-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-4-pyridin-3-yl-1H-1,2,4-triazol-5-one

Formula:C17H12N4O4S Mutagenic:none Tumorigenic:none Reproductive Effective:high 3-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-4-pyridin-3-yl-1H-1,2,4-triazol-5-one is a drug-like molecule.

MolName	3-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-4-pyridin-3-yl-1H-1,2,4-triazol-5-one
MolecularFormula	C17H12N4O4S
Smiles	Oc(cc1)cc(O2)c1C(CSC(N1c3cnccc3)=NNC1=O)=CC2=O
InChI	InChI=1S/C17H12N4O4S/c22-12-3-4-13-10(6-15(23)25-14(13)7-12)9-26-17-20-19-16(24)21(17)11-2-1-5-18-8-11/h1-8,22H,9H2,(H,19,24)
InChIK	VIVLDENDWQEDRW-UHFFFAOYSA-N
TotalMolweight	368.372
Molweight	368.372
MonoisotopicMass	368.057926
CLogP	1.4977
CLogS	-4.149
H Acceptors	8
H Donors	2
TotalSurfaceArea	257.32
Relative PSA	0.40479
PolarSurfaceArea	129.42
Druglikeness	1.7858
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Amides	1
Aromatic Nitrogens	1
StereoCon

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