2-[[(Z)-(4-bromophenyl)methylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethanol

Formula:C16H14N3O3BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(Z)-(4-bromophenyl)methylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethanol is a drug-like molecule.

MolName	2-[[(Z)-(4-bromophenyl)methylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethanol
MolecularFormula	C16H14N3O3BrS
Smiles	OCCN(C(c1c2cccc1)=NS2(=O)=O)/N=C\c(cc1)ccc1Br
InChI	InChI=1S/C16H14BrN3O3S/c17-13-7-5-12(6-8-13)11-18-20(9-10-21)16-14-3-1-2-4-15(14)24(22,23)19-16/h1-8,11,21H,9-10H2
InChIK	UQYXNMOAFKACQL-UHFFFAOYSA-N
TotalMolweight	408.275
Molweight	408.275
MonoisotopicMass	406.993923
CLogP	3.0813
CLogS	-3.849
H Acceptors	6
H Donors	1
TotalSurfaceArea	258.63
Relative PSA	0.26389
PolarSurfaceArea	90.71
Druglikeness	2.57
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	3
BasicNitrogens	1
StereoCon

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1 - 2-[[(Z)-(4-bromophenyl)methylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethanol | 2 - 2-[[(Z)-(4-bromophenyl)methylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethanol

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