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

Formula:C17H15N4O2Br Mutagenic:high Tumorigenic:none Reproductive Effective:none (Z)-1-[5-bromo-2-(2-phenoxyethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.

MolName	(Z)-1-[5-bromo-2-(2-phenoxyethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
MolecularFormula	C17H15N4O2Br
Smiles	Brc(cc1)cc(/C=N\n2cnnc2)c1OCCOc1ccccc1
InChI	InChI=1S/C17H15BrN4O2/c18-15-6-7-17(14(10-15)11-21-22-12-19-20-13-22)24-9-8-23-16-4-2-1-3-5-16/h1-7,10-13H,8-9H2
InChIK	QCUHWKHFBYJSQY-UHFFFAOYSA-N
TotalMolweight	387.236
Molweight	387.236
MonoisotopicMass	386.037837
CLogP	3.3085
CLogS	-6.412
H Acceptors	6
TotalSurfaceArea	270.41
Relative PSA	0.22307
PolarSurfaceArea	61.53
Druglikeness	-5.6114
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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

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