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

Formula:C18H13N3O4S Mutagenic:none Tumorigenic:none Reproductive Effective:high 3-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-4-phenyl-1H-1,2,4-triazol-5-one is a drug-like molecule.

MolName	3-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-4-phenyl-1H-1,2,4-triazol-5-one
MolecularFormula	C18H13N3O4S
Smiles	Oc(cc1)cc(O2)c1C(CSC(N1c3ccccc3)=NNC1=O)=CC2=O
InChI	InChI=1S/C18H13N3O4S/c22-13-6-7-14-11(8-16(23)25-15(14)9-13)10-26-18-20-19-17(24)21(18)12-4-2-1-3-5-12/h1-9,22H,10H2,(H,19,24)
InChIK	CZBQZSOJQDALKS-UHFFFAOYSA-N
TotalMolweight	367.384
Molweight	367.384
MonoisotopicMass	367.062677
CLogP	2.4986
CLogS	-4.944
H Acceptors	7
H Donors	2
TotalSurfaceArea	258.56
Relative PSA	0.36042
PolarSurfaceArea	116.53
Druglikeness	1.7858
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	1
StereoCon

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