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

Formula:C13H9N4OIS Mutagenic:high Tumorigenic:high Reproductive Effective:high 4-[(Z)-(5-iodofuran-2-yl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-(5-iodofuran-2-yl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
MolecularFormula	C13H9N4OIS
Smiles	S=C(NN=C1c2ccccc2)N1/N=C\c(o1)ccc1I
InChI	InChI=1S/C13H9IN4OS/c14-11-7-6-10(19-11)8-15-18-12(16-17-13(18)20)9-4-2-1-3-5-9/h1-8H,(H,17,20)
InChIK	YPRRIPMRNOQONQ-UHFFFAOYSA-N
TotalMolweight	396.207
Molweight	396.207
MonoisotopicMass	395.954179
CLogP	3.0182
CLogS	-4.912
H Acceptors	5
H Donors	1
TotalSurfaceArea	237.69
Relative PSA	0.33716
PolarSurfaceArea	85.22
Druglikeness	6.4819
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.6
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
Symmetricatoms	2
StereoCon

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