(Z)-1-(5-bromo-2-prop-2-ynoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine

Formula:C12H9N4OBr Mutagenic:high Tumorigenic:none Reproductive Effective:none (Z)-1-(5-bromo-2-prop-2-ynoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.

MolName	(Z)-1-(5-bromo-2-prop-2-ynoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
MolecularFormula	C12H9N4OBr
Smiles	C#CCOc(cc1)c(/C=N\n2cnnc2)cc1Br
InChI	InChI=1S/C12H9BrN4O/c1-2-5-18-12-4-3-11(13)6-10(12)7-16-17-8-14-15-9-17/h1,3-4,6-9H,5H2
InChIK	DFXOVHDZJCWRPL-UHFFFAOYSA-N
TotalMolweight	305.134
Molweight	305.134
MonoisotopicMass	303.995972
CLogP	1.9107
CLogS	-5.786
H Acceptors	5
TotalSurfaceArea	210.7
Relative PSA	0.23882
PolarSurfaceArea	52.3
Druglikeness	1.2748
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.61111
Fragments	1
Non HAtoms	18
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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1 - (Z)-1-(5-bromo-2-prop-2-ynoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine | 2 - (Z)-1-(5-bromo-2-prop-2-ynoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine

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