2-[4-[(Z)-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetate

Formula:C18H16N2O4BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[4-[(Z)-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetate is a drug-like molecule.

MolName	2-[4-[(Z)-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetate
MolecularFormula	C18H16N2O4BrS
Smiles	[O-]C(COc1ccc(/C=N\NC(CSCc(cccc2)c2Br)=O)cc1)=O
InChI	InChI=1S/C18H17BrN2O4S/c19-16-4-2-1-3-14(16)11-26-12-17(22)21-20-9-13-5-7-15(8-6-13)25-10-18(23)24/h1-9H,10-12H2,(H,21,22)(H,23,24)/p-1
InChIK	CYAITBUAKDDNBK-UHFFFAOYSA-M
TotalMolweight	436.305
Molweight	436.305
MonoisotopicMass	435.001414
CLogP	1.1004
CLogS	-5.134
H Acceptors	6
H Donors	1
TotalSurfaceArea	299.67
Relative PSA	0.30307
PolarSurfaceArea	116.12
Druglikeness	2.8214
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.73077
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	9
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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1 - 2-[4-[(Z)-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetate | 2 - 2-[4-[(Z)-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetate

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