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

Formula:C20H19N4O2Br Mutagenic:high Tumorigenic:none Reproductive Effective:none (Z)-1-[5-bromo-2-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.

MolName	(Z)-1-[5-bromo-2-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
MolecularFormula	C20H19N4O2Br
Smiles	C=CCc(cccc1)c1OCCOc(cc1)c(/C=N\n2cnnc2)cc1Br
InChI	InChI=1S/C20H19BrN4O2/c1-2-5-16-6-3-4-7-19(16)26-10-11-27-20-9-8-18(21)12-17(20)13-24-25-14-22-23-15-25/h2-4,6-9,12-15H,1,5,10-11H2
InChIK	NKBNIGHHZIHGKB-UHFFFAOYSA-N
TotalMolweight	427.301
Molweight	427.301
MonoisotopicMass	426.069137
CLogP	4.3369
CLogS	-7.124
H Acceptors	6
TotalSurfaceArea	308.71
Relative PSA	0.19539
PolarSurfaceArea	61.53
Druglikeness	-8.4421
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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

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