(Z)-N-(3-benzylsulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl)-1-(5-iodofuran-2-yl)methanimine

Formula:C19H14N5OIS Mutagenic:high Tumorigenic:high Reproductive Effective:high (Z)-N-(3-benzylsulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl)-1-(5-iodofuran-2-yl)methanimine is a drug-like molecule.

MolName	(Z)-N-(3-benzylsulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl)-1-(5-iodofuran-2-yl)methanimine
MolecularFormula	C19H14N5OIS
Smiles	Ic1ccc(/C=N\n2c(SCc3ccccc3)nnc2-c2ccncc2)o1
InChI	InChI=1S/C19H14IN5OS/c20-17-7-6-16(26-17)12-22-25-18(15-8-10-21-11-9-15)23-24-19(25)27-13-14-4-2-1-3-5-14/h1-12H,13H2
InChIK	OFESZNHDDZGSAM-UHFFFAOYSA-N
TotalMolweight	487.32
Molweight	487.32
MonoisotopicMass	486.996378
CLogP	3.7971
CLogS	-8.319
H Acceptors	6
TotalSurfaceArea	310
Relative PSA	0.26739
PolarSurfaceArea	94.4
Druglikeness	6.5709
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	4
StereoCon

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