(Z)-1-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine

Formula:C20H14N4OI2 Mutagenic:low Tumorigenic:high Reproductive Effective:none (Z)-1-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine is not a drug-like molecule.

MolName	(Z)-1-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
MolecularFormula	C20H14N4OI2
Smiles	Ic1cc(/C=N\n2cnnc2)cc(I)c1OCc1cccc2ccccc12
InChI	InChI=1S/C20H14I2N4O/c21-18-8-14(10-25-26-12-23-24-13-26)9-19(22)20(18)27-11-16-6-3-5-15-4-1-2-7-17(15)16/h1-10,12-13H,11H2
InChIK	OJOVTJVBTYPHKF-UHFFFAOYSA-N
TotalMolweight	580.158
Molweight	580.158
MonoisotopicMass	579.925707
CLogP	4.645
CLogS	-9.289
H Acceptors	5
TotalSurfaceArea	315.18
Relative PSA	0.15965
PolarSurfaceArea	52.3
Druglikeness	3.5575
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	5
Aromatic Nitrogens	3
StereoCon

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1 - (Z)-1-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine | 2 - (Z)-1-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine

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