[4-[(Z)-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenyl] benzenesulfonate

Formula:C22H16N3O3BrS2 Mutagenic:none Tumorigenic:high Reproductive Effective:none [4-[(Z)-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenyl] benzenesulfonate is not a drug-like molecule.

MolName	[4-[(Z)-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenyl] benzenesulfonate
MolecularFormula	C22H16N3O3BrS2
Smiles	O=S(c1ccccc1)(Oc1ccc(/C=N\Nc2nc(-c(cc3)ccc3Br)cs2)cc1)=O
InChI	InChI=1S/C22H16BrN3O3S2/c23-18-10-8-17(9-11-18)21-15-30-22(25-21)26-24-14-16-6-12-19(13-7-16)29-31(27,28)20-4-2-1-3-5-20/h1-15H,(H,25,26)
InChIK	QULTXEMEIPHHEP-UHFFFAOYSA-N
TotalMolweight	514.423
Molweight	514.423
MonoisotopicMass	512.981643
CLogP	7.8205
CLogS	-6.268
H Acceptors	6
H Donors	1
TotalSurfaceArea	340.67
Relative PSA	0.27264
PolarSurfaceArea	117.27
Druglikeness	-3.4112
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.67742
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	7
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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