2-[[(Z)-(5-bromofuran-2-yl)methylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethanol

Formula:C14H12N3O4BrS Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-[[(Z)-(5-bromofuran-2-yl)methylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethanol is a drug-like molecule.

MolName	2-[[(Z)-(5-bromofuran-2-yl)methylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethanol
MolecularFormula	C14H12N3O4BrS
Smiles	OCCN(C(c1c2cccc1)=NS2(=O)=O)/N=C\c(o1)ccc1Br
InChI	InChI=1S/C14H12BrN3O4S/c15-13-6-5-10(22-13)9-16-18(7-8-19)14-11-3-1-2-4-12(11)23(20,21)17-14/h1-6,9,19H,7-8H2
InChIK	LDYXMTVFRZHNBT-UHFFFAOYSA-N
TotalMolweight	398.236
Molweight	398.236
MonoisotopicMass	396.973188
CLogP	2.3674
CLogS	-3.294
H Acceptors	7
H Donors	1
TotalSurfaceArea	248.32
Relative PSA	0.33167
PolarSurfaceArea	103.85
Druglikeness	3.5667
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.52174
Fragments	1
Non HAtoms	23
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	1
BasicNitrogens	1
StereoCon

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