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

Formula:C17H15N3O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethanol is a drug-like molecule.

MolName	2-[[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethanol
MolecularFormula	C17H15N3O5S
Smiles	OCCN(C(c1c2cccc1)=NS2(=O)=O)/N=C\c(cc1)cc2c1OCO2
InChI	InChI=1S/C17H15N3O5S/c21-8-7-20(17-13-3-1-2-4-16(13)26(22,23)19-17)18-10-12-5-6-14-15(9-12)25-11-24-14/h1-6,9-10,21H,7-8,11H2
InChIK	CFCMMSJJUPEXDU-UHFFFAOYSA-N
TotalMolweight	373.388
Molweight	373.388
MonoisotopicMass	373.073242
CLogP	2.4675
CLogS	-3.726
H Acceptors	8
H Donors	1
TotalSurfaceArea	260.26
Relative PSA	0.33908
PolarSurfaceArea	109.17
Druglikeness	4.5716
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	1
BasicNitrogens	1
StereoCon

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1 - 2-[[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethanol | 2 - 2-[[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethanol

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