2-[2-[(Z)-[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate

Formula:C17H14N2O5Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[2-[(Z)-[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate is a drug-like molecule.

MolName	2-[2-[(Z)-[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate
MolecularFormula	C17H14N2O5Br
Smiles	[O-]C(COc1c(/C=N\NC(COc2cccc(Br)c2)=O)cccc1)=O
InChI	InChI=1S/C17H15BrN2O5/c18-13-5-3-6-14(8-13)24-10-16(21)20-19-9-12-4-1-2-7-15(12)25-11-17(22)23/h1-9H,10-11H2,(H,20,21)(H,22,23)/p-1
InChIK	SKYBPYXHECVIPB-UHFFFAOYSA-M
TotalMolweight	406.211
Molweight	406.211
MonoisotopicMass	405.008609
CLogP	0.4857
CLogS	-4.128
H Acceptors	7
H Donors	1
TotalSurfaceArea	278.42
Relative PSA	0.2993
PolarSurfaceArea	100.05
Druglikeness	2.4564
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
AcidicOxygens	1
StereoCon

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