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

Formula:C20H15N4OBr Mutagenic:high Tumorigenic:high Reproductive Effective:none (Z)-1-[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.

MolName	(Z)-1-[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
MolecularFormula	C20H15N4OBr
Smiles	Brc(cc1)cc(/C=N\n2cnnc2)c1OCc1cccc2ccccc12
InChI	InChI=1S/C20H15BrN4O/c21-18-8-9-20(17(10-18)11-24-25-13-22-23-14-25)26-12-16-6-3-5-15-4-1-2-7-19(15)16/h1-11,13-14H,12H2
InChIK	OEMJPJUSCIMGJW-UHFFFAOYSA-N
TotalMolweight	407.27
Molweight	407.27
MonoisotopicMass	406.042922
CLogP	4.496
CLogS	-8.091
H Acceptors	5
TotalSurfaceArea	281.25
Relative PSA	0.17892
PolarSurfaceArea	52.3
Druglikeness	1.2686
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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

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