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

Formula:C18H12N3O4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-(4-chlorophenyl)-3-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one is a drug-like molecule.

MolName	4-(4-chlorophenyl)-3-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one
MolecularFormula	C18H12N3O4ClS
Smiles	Oc(cc1)cc(O2)c1C(CSC(N1c(cc3)ccc3Cl)=NNC1=O)=CC2=O
InChI	InChI=1S/C18H12ClN3O4S/c19-11-1-3-12(4-2-11)22-17(25)20-21-18(22)27-9-10-7-16(24)26-15-8-13(23)5-6-14(10)15/h1-8,23H,9H2,(H,20,25)
InChIK	YBKYLYNAHLZEAO-UHFFFAOYSA-N
TotalMolweight	401.829
Molweight	401.829
MonoisotopicMass	401.023704
CLogP	3.1046
CLogS	-5.68
H Acceptors	7
H Donors	2
TotalSurfaceArea	273.98
Relative PSA	0.34013
PolarSurfaceArea	116.53
Druglikeness	1.8508
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
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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