(Z)-1-[2-[2-(4-bromophenoxy)ethoxy]-3,5-dichlorophenyl]-N-(1,2,4-triazol-4-yl)methanimine

Formula:C17H13N4O2BrCl2 Mutagenic:none Tumorigenic:high Reproductive Effective:high (Z)-1-[2-[2-(4-bromophenoxy)ethoxy]-3,5-dichlorophenyl]-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.

MolName	(Z)-1-[2-[2-(4-bromophenoxy)ethoxy]-3,5-dichlorophenyl]-N-(1,2,4-triazol-4-yl)methanimine
MolecularFormula	C17H13N4O2BrCl2
Smiles	Clc(cc1/C=N\n2cnnc2)cc(Cl)c1OCCOc(cc1)ccc1Br
InChI	InChI=1S/C17H13BrCl2N4O2/c18-13-1-3-15(4-2-13)25-5-6-26-17-12(7-14(19)8-16(17)20)9-23-24-10-21-22-11-24/h1-4,7-11H,5-6H2
InChIK	HPBUGLIGZZRIPQ-UHFFFAOYSA-N
TotalMolweight	456.126
Molweight	456.126
MonoisotopicMass	453.959891
CLogP	4.5205
CLogS	-7.884
H Acceptors	6
TotalSurfaceArea	301.25
Relative PSA	0.20023
PolarSurfaceArea	61.53
Druglikeness	-5.5915
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
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-[2-[2-(4-bromophenoxy)ethoxy]-3,5-dichlorophenyl]-N-(1,2,4-triazol-4-yl)methanimine | 2 - (Z)-1-[2-[2-(4-bromophenoxy)ethoxy]-3,5-dichlorophenyl]-N-(1,2,4-triazol-4-yl)methanimine

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