(Z)-1-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]-N-(1,2,4-triazol-4-yl)methanimine

Formula:C13H8N4OBrClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-1-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.

MolName	(Z)-1-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]-N-(1,2,4-triazol-4-yl)methanimine
MolecularFormula	C13H8N4OBrClS
Smiles	Clc(cc1)ccc1Sc(oc(/C=N\n1cnnc1)c1)c1Br
InChI	InChI=1S/C13H8BrClN4OS/c14-12-5-10(6-18-19-7-16-17-8-19)20-13(12)21-11-3-1-9(15)2-4-11/h1-8H
InChIK	DWIMQCUOPJELQO-UHFFFAOYSA-N
TotalMolweight	383.657
Molweight	383.657
MonoisotopicMass	381.929069
CLogP	3.6667
CLogS	-7.111
H Acceptors	5
TotalSurfaceArea	245.49
Relative PSA	0.29297
PolarSurfaceArea	81.51
Druglikeness	-1.5541
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.66667
Fragments	1
Non HAtoms	21
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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1 - (Z)-1-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]-N-(1,2,4-triazol-4-yl)methanimine | 2 - (Z)-1-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]-N-(1,2,4-triazol-4-yl)methanimine

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