3-(2-fluorophenyl)-4-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione

Formula:C17H13N4FS Mutagenic:high Tumorigenic:none Reproductive Effective:high 3-(2-fluorophenyl)-4-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	3-(2-fluorophenyl)-4-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
MolecularFormula	C17H13N4FS
Smiles	Fc(cccc1)c1C(N1/N=C\C=C\c2ccccc2)=NNC1=S
InChI	InChI=1S/C17H13FN4S/c18-15-11-5-4-10-14(15)16-20-21-17(23)22(16)19-12-6-9-13-7-2-1-3-8-13/h1-12H,(H,21,23)
InChIK	DSPILUFIPIWXNM-UHFFFAOYSA-N
TotalMolweight	324.382
Molweight	324.382
MonoisotopicMass	324.084494
CLogP	3.4141
CLogS	-5.057
H Acceptors	4
H Donors	1
TotalSurfaceArea	254.57
Relative PSA	0.25938
PolarSurfaceArea	72.08
Druglikeness	2.2875
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
StereoCon

Click to Load Molecule:

1 - 3-(2-fluorophenyl)-4-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione | 2 - 3-(2-fluorophenyl)-4-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione

Request More Details | 3-(2-fluorophenyl)-4-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments