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

Formula:C19H12N3O4F3S Mutagenic:none Tumorigenic:none Reproductive Effective:high 3-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one is a drug-like molecule.

MolName	3-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one
MolecularFormula	C19H12N3O4F3S
Smiles	Oc(cc1)cc(O2)c1C(CSC(N1c3cc(C(F)(F)F)ccc3)=NNC1=O)=CC2=O
InChI	InChI=1S/C19H12F3N3O4S/c20-19(21,22)11-2-1-3-12(7-11)25-17(28)23-24-18(25)30-9-10-6-16(27)29-15-8-13(26)4-5-14(10)15/h1-8,26H,9H2,(H,23,28)
InChIK	ZNJNXZCRXDPWJA-UHFFFAOYSA-N
TotalMolweight	435.381
Molweight	435.381
MonoisotopicMass	435.050061
CLogP	3.3469
CLogS	-5.722
H Acceptors	7
H Donors	2
TotalSurfaceArea	288.02
Relative PSA	0.32355
PolarSurfaceArea	116.53
Druglikeness	-5.4042
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
Amides	1
StereoCon

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