(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-4H-1,4-benzothiazin-3-one

Formula:C16H11NO3S Mutagenic:none Tumorigenic:none Reproductive Effective:high (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-4H-1,4-benzothiazin-3-one is a drug-like molecule.

MolName	(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-4H-1,4-benzothiazin-3-one
MolecularFormula	C16H11NO3S
Smiles	O=C1Nc(cccc2)c2S/C1=C\c(cc1)cc2c1OCO2
InChI	InChI=1S/C16H11NO3S/c18-16-15(21-14-4-2-1-3-11(14)17-16)8-10-5-6-12-13(7-10)20-9-19-12/h1-8H,9H2,(H,17,18)
InChIK	JCOARHASJNBDCZ-UHFFFAOYSA-N
TotalMolweight	297.333
Molweight	297.333
MonoisotopicMass	297.045964
CLogP	2.3684
CLogS	-5.125
H Acceptors	4
H Donors	1
TotalSurfaceArea	211.19
Relative PSA	0.29353
PolarSurfaceArea	72.86
Druglikeness	2.6285
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	1
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Amides	1
StereoCon

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