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

Formula:C16H12N4OBrF Mutagenic:high Tumorigenic:none Reproductive Effective:none (Z)-1-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.

MolName	(Z)-1-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
MolecularFormula	C16H12N4OBrF
Smiles	Fc1ccc(COc(cc2)c(/C=N\n3cnnc3)cc2Br)cc1
InChI	InChI=1S/C16H12BrFN4O/c17-14-3-6-16(23-9-12-1-4-15(18)5-2-12)13(7-14)8-21-22-10-19-20-11-22/h1-8,10-11H,9H2
InChIK	NELJKLNSRRIRPK-UHFFFAOYSA-N
TotalMolweight	375.2
Molweight	375.2
MonoisotopicMass	374.01785
CLogP	3.4024
CLogS	-6.799
H Acceptors	5
TotalSurfaceArea	253
Relative PSA	0.19889
PolarSurfaceArea	52.3
Druglikeness	-0.07144
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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

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