2-[[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethanol

Formula:C17H14N3O5ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethanol is a drug-like molecule.

MolName	2-[[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethanol
MolecularFormula	C17H14N3O5ClS
Smiles	OCCN(C(c1c2cccc1)=NS2(=O)=O)/N=C\c(cc1OCOc1c1)c1Cl
InChI	InChI=1S/C17H14ClN3O5S/c18-13-8-15-14(25-10-26-15)7-11(13)9-19-21(5-6-22)17-12-3-1-2-4-16(12)27(23,24)20-17/h1-4,7-9,22H,5-6,10H2
InChIK	MNTMDCDRYQPWSU-UHFFFAOYSA-N
TotalMolweight	407.833
Molweight	407.833
MonoisotopicMass	407.034269
CLogP	3.0735
CLogS	-4.462
H Acceptors	8
H Donors	1
TotalSurfaceArea	275.68
Relative PSA	0.32012
PolarSurfaceArea	109.17
Druglikeness	4.7321
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.48148
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
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)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethanol | 2 - 2-[[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethanol

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