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

Formula:C15H13N3O4S Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-cyclopropyl-3-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one is a drug-like molecule.

MolName	4-cyclopropyl-3-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one
MolecularFormula	C15H13N3O4S
Smiles	Oc(cc1)cc(O2)c1C(CSC(N1C3CC3)=NNC1=O)=CC2=O
InChI	InChI=1S/C15H13N3O4S/c19-10-3-4-11-8(5-13(20)22-12(11)6-10)7-23-15-17-16-14(21)18(15)9-1-2-9/h3-6,9,19H,1-2,7H2,(H,16,21)
InChIK	UUYLCJVCGWDBSV-UHFFFAOYSA-N
TotalMolweight	331.351
Molweight	331.351
MonoisotopicMass	331.062677
CLogP	1.5331
CLogS	-3.863
H Acceptors	7
H Donors	2
TotalSurfaceArea	225.32
Relative PSA	0.41359
PolarSurfaceArea	116.53
Druglikeness	2.3111
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.52174
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Symmetricatoms	1
Amides	1
StereoCon

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

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