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

Formula:C17H12N4ClFS Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione
MolecularFormula	C17H12N4ClFS
Smiles	Fc(cccc1)c1C(N1/N=C\C(\Cl)=C\c2ccccc2)=NNC1=S
InChI	InChI=1S/C17H12ClFN4S/c18-13(10-12-6-2-1-3-7-12)11-20-23-16(21-22-17(23)24)14-8-4-5-9-15(14)19/h1-11H,(H,22,24)
InChIK	OPZHJBQNHWQVKH-UHFFFAOYSA-N
TotalMolweight	358.827
Molweight	358.827
MonoisotopicMass	358.045521
CLogP	3.8757
CLogS	-5.748
H Acceptors	4
H Donors	1
TotalSurfaceArea	268.2
Relative PSA	0.2462
PolarSurfaceArea	72.08
Druglikeness	2.5533
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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