4-[(Z)-(3-fluorophenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione

Formula:C13H9N4OFS Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-(3-fluorophenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-(3-fluorophenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione
MolecularFormula	C13H9N4OFS
Smiles	Fc1cccc(/C=N\N(C(c2ccco2)=NN2)C2=S)c1
InChI	InChI=1S/C13H9FN4OS/c14-10-4-1-3-9(7-10)8-15-18-12(16-17-13(18)20)11-5-2-6-19-11/h1-8H,(H,17,20)
InChIK	NFEWCMOFSBJWLP-UHFFFAOYSA-N
TotalMolweight	288.305
Molweight	288.305
MonoisotopicMass	288.048109
CLogP	2.5845
CLogS	-4.447
H Acceptors	5
H Donors	1
TotalSurfaceArea	217.76
Relative PSA	0.36802
PolarSurfaceArea	85.22
Druglikeness	2.0966
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.55
Fragments	1
Non HAtoms	20
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
StereoCon

Click to Load Molecule:

1 - 4-[(Z)-(3-fluorophenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione | 2 - 4-[(Z)-(3-fluorophenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione

Request More Details | 4-[(Z)-(3-fluorophenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments